smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272379982 814676253 /nfs/dbraw/zinc/67/62/53/814676253.db2.gz FNAUDOMSMKRFBD-SYJIQKIWSA-N 2 1 361.486 1.986 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)C[N@@H+](C)C3CCC3)CC2)cc1 ZINC000173914902 866163514 /nfs/dbraw/zinc/16/35/14/866163514.db2.gz BJLJKESFYDNUKJ-UHFFFAOYSA-N 2 1 374.529 1.808 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C(=O)N4CCCC4)C3)cc2)CC1 ZINC000809770960 940893111 /nfs/dbraw/zinc/89/31/11/940893111.db2.gz BWRAXQCBFISEIU-IBGZPJMESA-N 2 1 356.514 1.883 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3CC[NH3+])CC2)cc1 ZINC000844224978 947858029 /nfs/dbraw/zinc/85/80/29/947858029.db2.gz WZZIJWLCKYAQDS-QGZVFWFLSA-N 2 1 360.502 1.547 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3CC[NH3+])CC2)cc1 ZINC000844224978 947858035 /nfs/dbraw/zinc/85/80/35/947858035.db2.gz WZZIJWLCKYAQDS-QGZVFWFLSA-N 2 1 360.502 1.547 20 10 FDCDMP COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000846225527 950740073 /nfs/dbraw/zinc/74/00/73/950740073.db2.gz NZCPUTHYOOAGEE-SFTDATJTSA-N 2 1 357.498 1.994 20 10 FDCDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883514714 982233407 /nfs/dbraw/zinc/23/34/07/982233407.db2.gz OYWRAIKGPULZEM-OXQOHEQNSA-N 2 1 371.529 1.720 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000873844675 989311404 /nfs/dbraw/zinc/31/14/04/989311404.db2.gz NXKDWUTYUUCVTE-GOSISDBHSA-N 2 1 374.529 1.665 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C3(C[NH+](C)C)CC3)CC2)cc1 ZINC000874242554 989980126 /nfs/dbraw/zinc/98/01/26/989980126.db2.gz VBHYPXBGZLDWTO-UHFFFAOYSA-N 2 1 360.502 1.275 20 10 FDCDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)CCO2 ZINC000877607733 993377777 /nfs/dbraw/zinc/37/77/77/993377777.db2.gz KEWZFMZCCGETDU-UHFFFAOYSA-N 2 1 359.514 1.944 20 10 FDCDMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666382 998516854 /nfs/dbraw/zinc/51/68/54/998516854.db2.gz LFAKOHHKXMKJJV-PXNSSMCTSA-N 2 1 373.545 1.920 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)cc1 ZINC000289696735 1000113992 /nfs/dbraw/zinc/11/39/92/1000113992.db2.gz FEADIFSWQCYBQA-VQIMIIECSA-N 2 1 360.502 1.322 20 10 FDCDMP COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(O)c1 ZINC000368437269 537980917 /nfs/dbraw/zinc/98/09/17/537980917.db2.gz DRZKNKSDUSKJJB-OAHLLOKOSA-N 2 1 362.474 1.369 20 10 FDCDMP COc1ccc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000368437269 537980926 /nfs/dbraw/zinc/98/09/26/537980926.db2.gz DRZKNKSDUSKJJB-OAHLLOKOSA-N 2 1 362.474 1.369 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000891248174 774101608 /nfs/dbraw/zinc/10/16/08/774101608.db2.gz WNIOHLFRAMKKHW-ICSRJNTNSA-N 2 1 362.518 1.318 20 10 FDCDMP CN(CCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)CC[NH+](C)C ZINC000809788677 940902269 /nfs/dbraw/zinc/90/22/69/940902269.db2.gz VDAIUBXBEJVKLZ-UHFFFAOYSA-N 3 1 361.578 1.754 20 10 FDCDMP CN(CCC[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1)CC[NH+](C)C ZINC000809788677 940902270 /nfs/dbraw/zinc/90/22/70/940902270.db2.gz VDAIUBXBEJVKLZ-UHFFFAOYSA-N 2 1 361.578 1.754 20 10 FDCDMP CN(CCC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1)CC[NH+](C)C ZINC000809788677 940902271 /nfs/dbraw/zinc/90/22/71/940902271.db2.gz VDAIUBXBEJVKLZ-UHFFFAOYSA-N 2 1 361.578 1.754 20 10 FDCDMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000817895014 943069402 /nfs/dbraw/zinc/06/94/02/943069402.db2.gz SPMUBTHSINYGQI-ZWKOTPCHSA-N 2 1 370.476 1.912 20 10 FDCDMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2F)CC1 ZINC000817902512 943070874 /nfs/dbraw/zinc/07/08/74/943070874.db2.gz SAOSZBUIVZIHFJ-HHXXYDBFSA-N 2 1 364.509 1.810 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000844218924 947846286 /nfs/dbraw/zinc/84/62/86/947846286.db2.gz FKFAPLJWGXMSFD-IAGOWNOFSA-N 2 1 360.502 1.403 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000844218924 947846296 /nfs/dbraw/zinc/84/62/96/947846296.db2.gz FKFAPLJWGXMSFD-IAGOWNOFSA-N 2 1 360.502 1.403 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])CC2)cc1 ZINC000846225892 950738085 /nfs/dbraw/zinc/73/80/85/950738085.db2.gz HAVNQIUIACKFRH-PXNSSMCTSA-N 2 1 374.529 1.793 20 10 FDCDMP CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775726839 971789093 /nfs/dbraw/zinc/78/90/93/971789093.db2.gz YLDXIPMKXUZCCD-UHFFFAOYSA-N 2 1 353.532 1.693 20 10 FDCDMP CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775726839 971789099 /nfs/dbraw/zinc/78/90/99/971789099.db2.gz YLDXIPMKXUZCCD-UHFFFAOYSA-N 2 1 353.532 1.693 20 10 FDCDMP COc1c[nH+]ccc1N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000794704319 973669873 /nfs/dbraw/zinc/66/98/73/973669873.db2.gz GDNSIECZZDMPIV-QGZVFWFLSA-N 2 1 357.410 1.544 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cc2)CC1 ZINC000883436352 982143333 /nfs/dbraw/zinc/14/33/33/982143333.db2.gz QOIPSEGETROYKD-LJQANCHMSA-N 2 1 371.529 1.722 20 10 FDCDMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883452437 982159358 /nfs/dbraw/zinc/15/93/58/982159358.db2.gz WMRCEQQIKBREDX-IBGZPJMESA-N 2 1 359.518 1.722 20 10 FDCDMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883514712 982233177 /nfs/dbraw/zinc/23/31/77/982233177.db2.gz OYWRAIKGPULZEM-JXFKEZNVSA-N 2 1 371.529 1.720 20 10 FDCDMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000883728922 982421384 /nfs/dbraw/zinc/42/13/84/982421384.db2.gz BMVFEKVVYVNYHA-CTXDPNEZSA-N 2 1 371.529 1.863 20 10 FDCDMP COc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1O ZINC000369852618 989240927 /nfs/dbraw/zinc/24/09/27/989240927.db2.gz RQOHBUZTNOZLHJ-HNNXBMFYSA-N 2 1 362.474 1.369 20 10 FDCDMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000876782782 992911298 /nfs/dbraw/zinc/91/12/98/992911298.db2.gz UUNVINPALATFMX-PTUVJSPFSA-N 2 1 372.513 1.345 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000891254620 774147607 /nfs/dbraw/zinc/14/76/07/774147607.db2.gz ZNOFHCLVTHWLPQ-QZTJIDSGSA-N 2 1 364.559 1.909 20 10 FDCDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841102104 828678104 /nfs/dbraw/zinc/67/81/04/828678104.db2.gz CBIVXPMGMUCKEX-QGZVFWFLSA-N 2 1 361.490 1.082 20 10 FDCDMP COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+])CC2)cc1 ZINC000923294021 888786184 /nfs/dbraw/zinc/78/61/84/888786184.db2.gz DDXPXHBCMAJLSZ-GOSISDBHSA-N 2 1 364.534 1.095 20 10 FDCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN(C)CC(C)(C)C[NH3+])CC2)cc1 ZINC000923294021 888786191 /nfs/dbraw/zinc/78/61/91/888786191.db2.gz DDXPXHBCMAJLSZ-GOSISDBHSA-N 2 1 364.534 1.095 20 10 FDCDMP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809700650 940879993 /nfs/dbraw/zinc/87/99/93/940879993.db2.gz LGKDDRNEGYCBHD-NQIIRXRSSA-N 2 1 358.530 1.733 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[NH2+][C@H]3CC[NH2+]CC3(C)C)CC2)cc1 ZINC000844225948 947860270 /nfs/dbraw/zinc/86/02/70/947860270.db2.gz JFFIGKKEFTZCJQ-SFHVURJKSA-N 2 1 360.502 1.322 20 10 FDCDMP COc1ccc(N(C)CC[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000844399876 948029492 /nfs/dbraw/zinc/02/94/92/948029492.db2.gz RIOZBQFZLZKOGN-UHFFFAOYSA-N 2 1 374.529 1.806 20 10 FDCDMP COc1ccc(N(C)CC[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000844399876 948029502 /nfs/dbraw/zinc/02/95/02/948029502.db2.gz RIOZBQFZLZKOGN-UHFFFAOYSA-N 2 1 374.529 1.806 20 10 FDCDMP COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716001 971687829 /nfs/dbraw/zinc/68/78/29/971687829.db2.gz OIUNKCPJGZKSNU-SFHVURJKSA-N 2 1 363.527 1.919 20 10 FDCDMP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000852865796 967671664 /nfs/dbraw/zinc/67/16/64/967671664.db2.gz PMBOVSKFWKGLBH-AWEZNQCLSA-N 2 1 357.458 1.704 20 10 FDCDMP C[C@@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[N@@H+](C)C1CC1 ZINC000883332533 982076277 /nfs/dbraw/zinc/07/62/77/982076277.db2.gz XASZQSHITRKZQN-INIZCTEOSA-N 2 1 359.518 1.720 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)CC2)cc1 ZINC000870886334 986462370 /nfs/dbraw/zinc/46/23/70/986462370.db2.gz DWTOQMDMZMHOBL-CALCHBBNSA-N 2 1 360.502 1.451 20 10 FDCDMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000876715325 992822330 /nfs/dbraw/zinc/82/23/30/992822330.db2.gz LYVWYWCPADHWFB-NRFANRHFSA-N 2 1 372.557 1.860 20 10 FDCDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000876715325 992822341 /nfs/dbraw/zinc/82/23/41/992822341.db2.gz LYVWYWCPADHWFB-NRFANRHFSA-N 2 1 372.557 1.860 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)/C=C\[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000876782862 992910941 /nfs/dbraw/zinc/91/09/41/992910941.db2.gz WCVOJHRDMUZLMN-WMTBXTEMSA-N 2 1 372.513 1.489 20 10 FDCDMP COc1ccc(N2CCN(CCC[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000925517158 995636751 /nfs/dbraw/zinc/63/67/51/995636751.db2.gz FTODYMSJYMKHHJ-LJQVGOIWSA-N 2 1 370.541 1.793 20 10 FDCDMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268888984 674102945 /nfs/dbraw/zinc/10/29/45/674102945.db2.gz ZLSRRMAZWBDYRU-WBVHZDCISA-N 2 1 351.466 1.770 20 10 FDCDMP COc1ccc(N2CCN(C(=O)CN(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000172843276 524281601 /nfs/dbraw/zinc/28/16/01/524281601.db2.gz NKTSHIXYDLXANL-HKUYNNGSSA-N 2 1 374.529 1.758 20 10 FDCDMP COc1ccc(N2CCC([NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000128057940 843126064 /nfs/dbraw/zinc/12/60/64/843126064.db2.gz FJQITBYTFAWLMG-KRWDZBQOSA-N 2 1 374.529 1.841 20 10 FDCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[NH+](C)CCO)C1 ZINC000899737479 846638277 /nfs/dbraw/zinc/63/82/77/846638277.db2.gz IUUKXZHENYOLSR-UHFFFAOYSA-N 2 1 372.513 1.448 20 10 FDCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NCC[N@H+](C)CCO)C1 ZINC000899737479 846638283 /nfs/dbraw/zinc/63/82/83/846638283.db2.gz IUUKXZHENYOLSR-UHFFFAOYSA-N 2 1 372.513 1.448 20 10 FDCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NCC[N@@H+](C)CCO)C1 ZINC000899737479 846638290 /nfs/dbraw/zinc/63/82/90/846638290.db2.gz IUUKXZHENYOLSR-UHFFFAOYSA-N 2 1 372.513 1.448 20 10 FDCDMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000918851972 884969152 /nfs/dbraw/zinc/96/91/52/884969152.db2.gz FFKIKXZGYSXUPX-SFHVURJKSA-N 2 1 367.497 1.822 20 10 FDCDMP Cc1cc(Br)cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1O ZINC000843045364 909366067 /nfs/dbraw/zinc/36/60/67/909366067.db2.gz VNMBLWGGGMCYHY-UHFFFAOYSA-N 2 1 356.264 1.327 20 10 FDCDMP C[N@@H+](C[C@@H](O)CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000819200322 943473156 /nfs/dbraw/zinc/47/31/56/943473156.db2.gz NQCRMUXGHHLWRI-QFIPXVFZSA-N 2 1 372.557 1.763 20 10 FDCDMP CN(C[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000819200322 943473162 /nfs/dbraw/zinc/47/31/62/943473162.db2.gz NQCRMUXGHHLWRI-QFIPXVFZSA-N 2 1 372.557 1.763 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)cc2)CC1 ZINC000775738383 971884413 /nfs/dbraw/zinc/88/44/13/971884413.db2.gz CRBQLZAAPQTKGX-IBGZPJMESA-N 2 1 354.502 1.942 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000883149182 981981223 /nfs/dbraw/zinc/98/12/23/981981223.db2.gz UADWGVDNTNJCQB-PMACEKPBSA-N 2 1 371.529 1.864 20 10 FDCDMP CCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883779011 982464036 /nfs/dbraw/zinc/46/40/36/982464036.db2.gz MQRLBQBGDOMMNS-SFHVURJKSA-N 2 1 359.518 1.722 20 10 FDCDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000178666791 525461668 /nfs/dbraw/zinc/46/16/68/525461668.db2.gz BMIZOPQXMMFNDY-KRWDZBQOSA-N 2 1 360.502 1.338 20 10 FDCDMP COc1c(O)c(C[NH2+]C2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000278921341 537342543 /nfs/dbraw/zinc/34/25/43/537342543.db2.gz UWLJJTNMXUASEQ-UHFFFAOYSA-N 2 1 352.435 1.425 20 10 FDCDMP C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[NH+]1CCSCC1 ZINC000891251991 774124468 /nfs/dbraw/zinc/12/44/68/774124468.db2.gz JFZWSGICUAWDGM-CRAIPNDOSA-N 2 1 364.559 1.909 20 10 FDCDMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+](C)Cc1ccccc1O ZINC000171937658 865403261 /nfs/dbraw/zinc/40/32/61/865403261.db2.gz ZBKNDMZNSPQHFQ-INIZCTEOSA-N 2 1 354.454 1.956 20 10 FDCDMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N(C)Cc1ccccc1O ZINC000171937658 865403269 /nfs/dbraw/zinc/40/32/69/865403269.db2.gz ZBKNDMZNSPQHFQ-INIZCTEOSA-N 2 1 354.454 1.956 20 10 FDCDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)C1 ZINC000765978852 874170463 /nfs/dbraw/zinc/17/04/63/874170463.db2.gz QEMKPPORDCCCPF-LPHOPBHVSA-N 2 1 365.543 1.741 20 10 FDCDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)C1 ZINC000765978854 874171559 /nfs/dbraw/zinc/17/15/59/874171559.db2.gz QEMKPPORDCCCPF-VQIMIIECSA-N 2 1 365.543 1.741 20 10 FDCDMP CN1CCN(c2ccc(C[NH+]3CCC(OCC[NH+](C)C)CC3)cc2)CC1 ZINC000775687697 971496983 /nfs/dbraw/zinc/49/69/83/971496983.db2.gz GLBPZAQSCDRCLS-UHFFFAOYSA-N 2 1 360.546 1.981 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CN4CCOCC4)C3)cc2)CC1 ZINC000775719746 971709810 /nfs/dbraw/zinc/70/98/10/971709810.db2.gz YBXDONCEVLSRFK-HXUWFJFHSA-N 2 1 358.530 1.593 20 10 FDCDMP C[N@@H+](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCSC1 ZINC000881851902 980214008 /nfs/dbraw/zinc/21/40/08/980214008.db2.gz DBDDVEVJKJSHNV-SFHVURJKSA-N 2 1 362.543 1.492 20 10 FDCDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926872261 996351684 /nfs/dbraw/zinc/35/16/84/996351684.db2.gz CISVBMVAXQKGRR-UFRUDQCGSA-N 2 1 356.514 1.818 20 10 FDCDMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)CC1 ZINC000378350684 793985737 /nfs/dbraw/zinc/98/57/37/793985737.db2.gz PAAQGIAFPQPUBW-GOSISDBHSA-N 2 1 355.482 1.994 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)[NH+](C)C)cc1 ZINC000899095359 845755544 /nfs/dbraw/zinc/75/55/44/845755544.db2.gz IFXQIOGNAKMAPW-WDSOQIARSA-N 2 1 359.518 1.701 20 10 FDCDMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2F)CC1 ZINC000817902514 943071145 /nfs/dbraw/zinc/07/11/45/943071145.db2.gz SAOSZBUIVZIHFJ-SZVBFZGTSA-N 2 1 364.509 1.810 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000844224495 947858404 /nfs/dbraw/zinc/85/84/04/947858404.db2.gz FXXTUBUSIKSODS-KRWDZBQOSA-N 2 1 360.502 1.056 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000844224495 947858412 /nfs/dbraw/zinc/85/84/12/947858412.db2.gz FXXTUBUSIKSODS-KRWDZBQOSA-N 2 1 360.502 1.056 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](Cn4ccnn4)C3)cc2)CC1 ZINC000775738384 971884536 /nfs/dbraw/zinc/88/45/36/971884536.db2.gz CRBQLZAAPQTKGX-LJQANCHMSA-N 2 1 354.502 1.942 20 10 FDCDMP OC1CCN(c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000850568883 978439926 /nfs/dbraw/zinc/43/99/26/978439926.db2.gz MILJYYQAFMPZEC-HXUWFJFHSA-N 2 1 359.514 1.991 20 10 FDCDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000881853180 980217058 /nfs/dbraw/zinc/21/70/58/980217058.db2.gz MMGSHOUHDHLQEU-SFHVURJKSA-N 2 1 367.497 1.822 20 10 FDCDMP C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[N@H+]1C1CC1 ZINC000883505242 982225066 /nfs/dbraw/zinc/22/50/66/982225066.db2.gz YVZTTWZWVPGTNW-WMZOPIPTSA-N 2 1 371.529 1.863 20 10 FDCDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872255345 987547557 /nfs/dbraw/zinc/54/75/57/987547557.db2.gz CIEYCXDIYWLEDO-HNJZAVPNSA-N 2 1 356.470 1.633 20 10 FDCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Cl)c1 ZINC000872257531 987552032 /nfs/dbraw/zinc/55/20/32/987552032.db2.gz SJRCDBCXHSHHMW-XFJVYGCCSA-N 2 1 351.834 1.721 20 10 FDCDMP CC[N@@H+](C)CCNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106547400 525753120 /nfs/dbraw/zinc/75/31/20/525753120.db2.gz VDGHETSQTMXSDI-UHFFFAOYSA-N 2 1 365.497 1.719 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000731893442 918756419 /nfs/dbraw/zinc/75/64/19/918756419.db2.gz KXZAUFGUURQXSE-HXUWFJFHSA-N 2 1 374.529 1.808 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000846674918 951438989 /nfs/dbraw/zinc/43/89/89/951438989.db2.gz YBQQFUGLSHIULW-QGZVFWFLSA-N 2 1 360.502 1.323 20 10 FDCDMP COc1cc(Br)cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205663367 970148623 /nfs/dbraw/zinc/14/86/23/970148623.db2.gz IBFLSLIJGDALGY-OAHLLOKOSA-N 2 1 359.264 1.839 20 10 FDCDMP COc1cc(Br)cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205663367 970148630 /nfs/dbraw/zinc/14/86/30/970148630.db2.gz IBFLSLIJGDALGY-OAHLLOKOSA-N 2 1 359.264 1.839 20 10 FDCDMP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@H+]3CC[C@@H](C)C3)cc2F)CC1 ZINC000847454634 975646835 /nfs/dbraw/zinc/64/68/35/975646835.db2.gz LLSNNAHFPYYVLR-MRXNPFEDSA-N 2 1 362.493 1.926 20 10 FDCDMP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1c(O)cccc1F ZINC000886625535 986430688 /nfs/dbraw/zinc/43/06/88/986430688.db2.gz UFVQFGYDHCAVMN-OAHLLOKOSA-N 2 1 351.466 1.979 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000294027652 988285594 /nfs/dbraw/zinc/28/55/94/988285594.db2.gz HHJLVYGCQDPPOL-VQIMIIECSA-N 2 1 360.502 1.308 20 10 FDCDMP COc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000873134350 988597146 /nfs/dbraw/zinc/59/71/46/988597146.db2.gz PQISOTBMAHXLKA-UHFFFAOYSA-N 2 1 358.486 1.876 20 10 FDCDMP Oc1ccc(F)cc1C[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000180181437 525670433 /nfs/dbraw/zinc/67/04/33/525670433.db2.gz QLJSYSDXIXVCDA-UHFFFAOYSA-N 2 1 373.432 1.480 20 10 FDCDMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000290094042 537669686 /nfs/dbraw/zinc/66/96/86/537669686.db2.gz JNKHAAALQPIIRM-RTBURBONSA-N 2 1 360.502 1.322 20 10 FDCDMP C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[NH+]1CCSCC1 ZINC000891251992 774124402 /nfs/dbraw/zinc/12/44/02/774124402.db2.gz JFZWSGICUAWDGM-MAUKXSAKSA-N 2 1 364.559 1.909 20 10 FDCDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000817895012 943069081 /nfs/dbraw/zinc/06/90/81/943069081.db2.gz SPMUBTHSINYGQI-QZTJIDSGSA-N 2 1 370.476 1.912 20 10 FDCDMP COc1cc(O)c(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(Br)c1 ZINC001205726268 971234544 /nfs/dbraw/zinc/23/45/44/971234544.db2.gz SDPQRDOPWSMNFH-OAHLLOKOSA-N 2 1 359.264 1.839 20 10 FDCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(Br)c1 ZINC001205726268 971234551 /nfs/dbraw/zinc/23/45/51/971234551.db2.gz SDPQRDOPWSMNFH-OAHLLOKOSA-N 2 1 359.264 1.839 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)CC2)cc1 ZINC000844225278 947861670 /nfs/dbraw/zinc/86/16/70/947861670.db2.gz MOCVGHJVNJSAAQ-HDICACEKSA-N 2 1 372.513 1.275 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000846227492 950746037 /nfs/dbraw/zinc/74/60/37/950746037.db2.gz SUAQBRUIZMPAGI-SXLOBPIMSA-N 2 1 374.529 1.730 20 10 FDCDMP COC(=O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000775723223 971730762 /nfs/dbraw/zinc/73/07/62/971730762.db2.gz FZVXQMCPFMUEHX-UHFFFAOYSA-N 2 1 361.486 1.592 20 10 FDCDMP COC(=O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000775723223 971730767 /nfs/dbraw/zinc/73/07/67/971730767.db2.gz FZVXQMCPFMUEHX-UHFFFAOYSA-N 2 1 361.486 1.592 20 10 FDCDMP CN1CCN(c2ccc(CN(CCS(C)(=O)=O)C3CC3)cc2)CC1 ZINC000775728231 971793096 /nfs/dbraw/zinc/79/30/96/971793096.db2.gz QSTYLUNFUDRLKX-UHFFFAOYSA-N 2 1 351.516 1.447 20 10 FDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000853249148 967943912 /nfs/dbraw/zinc/94/39/12/967943912.db2.gz NTLOBOBPNHCFRO-OAHLLOKOSA-N 2 1 371.485 1.913 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000874242667 989980360 /nfs/dbraw/zinc/98/03/60/989980360.db2.gz YZDFQXGDEFPQQY-QGZVFWFLSA-N 2 1 360.502 1.275 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000874242667 989980364 /nfs/dbraw/zinc/98/03/64/989980364.db2.gz YZDFQXGDEFPQQY-QGZVFWFLSA-N 2 1 360.502 1.275 20 10 FDCDMP C[N@@H+](CCN1CC2(C1)CCOCC2)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000877765742 993502479 /nfs/dbraw/zinc/50/24/79/993502479.db2.gz HABBFJZZERCOPT-UHFFFAOYSA-N 2 1 372.557 1.983 20 10 FDCDMP CN(CC[NH+]1CC2(C1)CCOCC2)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000877765742 993502487 /nfs/dbraw/zinc/50/24/87/993502487.db2.gz HABBFJZZERCOPT-UHFFFAOYSA-N 2 1 372.557 1.983 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)cc2)CC1 ZINC000877790747 993516367 /nfs/dbraw/zinc/51/63/67/993516367.db2.gz GRHYXJKMVZFBIW-ROUUACIJSA-N 2 1 363.527 1.305 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)cc2)CC1 ZINC000877790747 993516370 /nfs/dbraw/zinc/51/63/70/993516370.db2.gz GRHYXJKMVZFBIW-ROUUACIJSA-N 2 1 363.527 1.305 20 10 FDCDMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666384 998516295 /nfs/dbraw/zinc/51/62/95/998516295.db2.gz LFAKOHHKXMKJJV-YLJYHZDGSA-N 2 1 373.545 1.920 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC[NH2+]C(C)(C)C)CC2)cc1 ZINC000930941162 1003686813 /nfs/dbraw/zinc/68/68/13/1003686813.db2.gz LPDDLPRLSZABEU-UHFFFAOYSA-N 2 1 362.518 1.712 20 10 FDCDMP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000120351042 770091963 /nfs/dbraw/zinc/09/19/63/770091963.db2.gz JNUBMBGQZNLSDX-FQEVSTJZSA-N 2 1 356.514 1.929 20 10 FDCDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892563987 787319796 /nfs/dbraw/zinc/31/97/96/787319796.db2.gz YYIMANHVAUSTFD-UHFFFAOYSA-N 2 1 351.491 1.917 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000893018954 792495105 /nfs/dbraw/zinc/49/51/05/792495105.db2.gz OHNBMTNGMLTCAC-APWZRJJASA-N 2 1 359.518 1.891 20 10 FDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2[NH2+]CCOc3ccccc32)cc1 ZINC000911667187 858880050 /nfs/dbraw/zinc/88/00/50/858880050.db2.gz OTJDINZMEXZLJI-IEBWSBKVSA-N 2 1 354.454 1.592 20 10 FDCDMP c1cc(N2CCOCC2)ccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000171846312 865376570 /nfs/dbraw/zinc/37/65/70/865376570.db2.gz MAIYHONUGIZPRZ-UHFFFAOYSA-N 2 1 358.530 1.737 20 10 FDCDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)C1 ZINC000765978853 874171503 /nfs/dbraw/zinc/17/15/03/874171503.db2.gz QEMKPPORDCCCPF-QFBILLFUSA-N 2 1 365.543 1.741 20 10 FDCDMP COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000813330634 941366404 /nfs/dbraw/zinc/36/64/04/941366404.db2.gz BLUOWFRJSJAJCQ-AWEZNQCLSA-N 2 1 357.458 1.793 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000775192728 966533834 /nfs/dbraw/zinc/53/38/34/966533834.db2.gz OMZMJUFZJZHIEX-LJQANCHMSA-N 2 1 365.543 1.838 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000775192728 966533839 /nfs/dbraw/zinc/53/38/39/966533839.db2.gz OMZMJUFZJZHIEX-LJQANCHMSA-N 2 1 365.543 1.838 20 10 FDCDMP C[N@H+](CC(=O)NCc1ccco1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647218 970761764 /nfs/dbraw/zinc/76/17/64/970761764.db2.gz RZCGQKARIIWZRP-UHFFFAOYSA-N 2 1 356.470 1.780 20 10 FDCDMP C[N@@H+](CC(=O)NCc1ccco1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647218 970761771 /nfs/dbraw/zinc/76/17/71/970761771.db2.gz RZCGQKARIIWZRP-UHFFFAOYSA-N 2 1 356.470 1.780 20 10 FDCDMP COc1c(O)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000863651894 973092532 /nfs/dbraw/zinc/09/25/32/973092532.db2.gz JOTAXBXUPCPPLV-OAHLLOKOSA-N 2 1 365.430 1.900 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000873844676 989311102 /nfs/dbraw/zinc/31/11/02/989311102.db2.gz NXKDWUTYUUCVTE-SFHVURJKSA-N 2 1 374.529 1.665 20 10 FDCDMP COc1ccc(N2CCN(CC[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cc1 ZINC000925509599 995634725 /nfs/dbraw/zinc/63/47/25/995634725.db2.gz YJNXGLLFQYYMIB-WYZBVHOTSA-N 2 1 356.514 1.403 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000270353595 999545043 /nfs/dbraw/zinc/54/50/43/999545043.db2.gz UKMPGHQLOLTLRP-QGZVFWFLSA-N 2 1 360.502 1.323 20 10 FDCDMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000283676022 537387161 /nfs/dbraw/zinc/38/71/61/537387161.db2.gz VOZSHOWMFZKREY-UHFFFAOYSA-N 2 1 360.502 1.119 20 10 FDCDMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000283676022 537387167 /nfs/dbraw/zinc/38/71/67/537387167.db2.gz VOZSHOWMFZKREY-UHFFFAOYSA-N 2 1 360.502 1.119 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(CN(C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)cc2=O ZINC000285592225 537734891 /nfs/dbraw/zinc/73/48/91/537734891.db2.gz URANNEMFIDEOAI-YIONKMFJSA-N 2 1 373.457 1.669 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3C)cc2=O ZINC000285592225 537734892 /nfs/dbraw/zinc/73/48/92/537734892.db2.gz URANNEMFIDEOAI-YIONKMFJSA-N 2 1 373.457 1.669 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3C)cc2=O ZINC000285592225 537734893 /nfs/dbraw/zinc/73/48/93/537734893.db2.gz URANNEMFIDEOAI-YIONKMFJSA-N 2 1 373.457 1.669 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[NH+](C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)cc2=O ZINC000285592225 537734895 /nfs/dbraw/zinc/73/48/95/537734895.db2.gz URANNEMFIDEOAI-YIONKMFJSA-N 2 1 373.457 1.669 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[NH+](C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)cc2=O ZINC000285592225 537734897 /nfs/dbraw/zinc/73/48/97/537734897.db2.gz URANNEMFIDEOAI-YIONKMFJSA-N 2 1 373.457 1.669 20 10 FDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705040 538091054 /nfs/dbraw/zinc/09/10/54/538091054.db2.gz DHZVAZTXGZNNJS-SIKLNZKXSA-N 2 1 372.557 1.981 20 10 FDCDMP CN1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000366572853 677452188 /nfs/dbraw/zinc/45/21/88/677452188.db2.gz JAWLPHASPCBPAF-RDJZCZTQSA-N 2 1 367.877 1.457 20 10 FDCDMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923381150 889058854 /nfs/dbraw/zinc/05/88/54/889058854.db2.gz RRQAZZAPKOGRMW-AZUAARDMSA-N 2 1 371.529 1.781 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3CS(C)(=O)=O)cc2)CC1 ZINC000824914146 946856187 /nfs/dbraw/zinc/85/61/87/946856187.db2.gz NBJGEQWSFIOMNZ-IBGZPJMESA-N 2 1 365.543 1.838 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CS(C)(=O)=O)cc2)CC1 ZINC000824914146 946856198 /nfs/dbraw/zinc/85/61/98/946856198.db2.gz NBJGEQWSFIOMNZ-IBGZPJMESA-N 2 1 365.543 1.838 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)CC2)cc1 ZINC000844224129 947856316 /nfs/dbraw/zinc/85/63/16/947856316.db2.gz GEPKJUMPNLOOPZ-KSZLIROESA-N 2 1 374.529 1.649 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)CC2)cc1 ZINC000844224129 947856324 /nfs/dbraw/zinc/85/63/24/947856324.db2.gz GEPKJUMPNLOOPZ-KSZLIROESA-N 2 1 374.529 1.649 20 10 FDCDMP Oc1cc2c(cc1C[NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)OCO2 ZINC000850357875 978333996 /nfs/dbraw/zinc/33/39/96/978333996.db2.gz WZJCVXILDACPMZ-QGZVFWFLSA-N 2 1 356.422 1.977 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2)CC1 ZINC000883436351 982143424 /nfs/dbraw/zinc/14/34/24/982143424.db2.gz QOIPSEGETROYKD-IBGZPJMESA-N 2 1 371.529 1.722 20 10 FDCDMP COCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1CC[NH+](C)CC1 ZINC000872632023 987885959 /nfs/dbraw/zinc/88/59/59/987885959.db2.gz RDUBQGOBCPLFQL-SFHVURJKSA-N 2 1 350.459 1.608 20 10 FDCDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877022107 993016352 /nfs/dbraw/zinc/01/63/52/993016352.db2.gz PCCRQWKNZBYUGH-GOSISDBHSA-N 2 1 374.529 1.325 20 10 FDCDMP CN1CCN(c2ccc(CN3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000877669382 993428449 /nfs/dbraw/zinc/42/84/49/993428449.db2.gz GVIVHPLSXDFNEE-NHCUHLMSSA-N 2 1 373.589 1.610 20 10 FDCDMP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)cc2)CC1 ZINC000925778947 995764599 /nfs/dbraw/zinc/76/45/99/995764599.db2.gz YKYJVIPMBSTNSJ-HNULKUCHSA-N 2 1 354.498 1.474 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000891248177 774101700 /nfs/dbraw/zinc/10/17/00/774101700.db2.gz WNIOHLFRAMKKHW-UYAOXDASSA-N 2 1 362.518 1.318 20 10 FDCDMP C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000891254269 774150456 /nfs/dbraw/zinc/15/04/56/774150456.db2.gz XZVWZHIWDJXBSV-APWZRJJASA-N 2 1 361.534 1.107 20 10 FDCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[N@H+]1C ZINC000765978158 874033565 /nfs/dbraw/zinc/03/35/65/874033565.db2.gz LXHFSJPBLDTFIP-NVXWUHKLSA-N 2 1 351.516 1.494 20 10 FDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000844162908 947841634 /nfs/dbraw/zinc/84/16/34/947841634.db2.gz ORPQBTNZFKBFFS-PMACEKPBSA-N 2 1 367.497 1.928 20 10 FDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1 ZINC000844162908 947841642 /nfs/dbraw/zinc/84/16/42/947841642.db2.gz ORPQBTNZFKBFFS-PMACEKPBSA-N 2 1 367.497 1.928 20 10 FDCDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCCc3cc(C[NH3+])ccc32)C1 ZINC000844219984 947848341 /nfs/dbraw/zinc/84/83/41/947848341.db2.gz PRGWKDOSHJGESE-LJQANCHMSA-N 2 1 374.529 1.371 20 10 FDCDMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144509917 949789206 /nfs/dbraw/zinc/78/92/06/949789206.db2.gz NOYJYFRFOGNUAP-UHFFFAOYSA-N 2 1 373.453 1.128 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCN3CCSCC3)cc2F)CC1 ZINC001200345214 974751630 /nfs/dbraw/zinc/75/16/30/974751630.db2.gz CEAZOHDLUFPYGH-UHFFFAOYSA-N 2 1 352.523 1.716 20 10 FDCDMP COCC[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1CC[NH+](C)CC1 ZINC000872632022 987886491 /nfs/dbraw/zinc/88/64/91/987886491.db2.gz RDUBQGOBCPLFQL-GOSISDBHSA-N 2 1 350.459 1.608 20 10 FDCDMP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278907781 537343571 /nfs/dbraw/zinc/34/35/71/537343571.db2.gz SCGQPJFFTNTREH-AWEZNQCLSA-N 2 1 366.462 1.672 20 10 FDCDMP C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000891254272 774150223 /nfs/dbraw/zinc/15/02/23/774150223.db2.gz XZVWZHIWDJXBSV-VQIMIIECSA-N 2 1 361.534 1.107 20 10 FDCDMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c1OC ZINC000892152349 781799075 /nfs/dbraw/zinc/79/90/75/781799075.db2.gz GSWVPSVSDQLSQY-WBVHZDCISA-N 2 1 363.502 1.867 20 10 FDCDMP C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000923123718 888098862 /nfs/dbraw/zinc/09/88/62/888098862.db2.gz ZNGRXSZYGDPADV-JKSUJKDBSA-N 2 1 360.458 1.135 20 10 FDCDMP C[NH+]1CCC[C@H]1C(=O)NCc1cc(NC(=O)[C@H]2CCC[N@@H+]2C)ccc1O ZINC000923123718 888098881 /nfs/dbraw/zinc/09/88/81/888098881.db2.gz ZNGRXSZYGDPADV-JKSUJKDBSA-N 2 1 360.458 1.135 20 10 FDCDMP C[NH+]1CCC[C@H]1C(=O)NCc1cc(NC(=O)[C@H]2CCC[N@H+]2C)ccc1O ZINC000923123718 888098891 /nfs/dbraw/zinc/09/88/91/888098891.db2.gz ZNGRXSZYGDPADV-JKSUJKDBSA-N 2 1 360.458 1.135 20 10 FDCDMP CN(CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000809734643 940887892 /nfs/dbraw/zinc/88/78/92/940887892.db2.gz MMVXYDQAEPVPRQ-UHFFFAOYSA-N 3 1 373.589 1.896 20 10 FDCDMP CC[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[C@@H]1[NH3+] ZINC000844222282 947855437 /nfs/dbraw/zinc/85/54/37/947855437.db2.gz CIHJWJPRGPLJMH-LPHOPBHVSA-N 2 1 360.502 1.403 20 10 FDCDMP CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[C@@H]1[NH3+] ZINC000844222282 947855442 /nfs/dbraw/zinc/85/54/42/947855442.db2.gz CIHJWJPRGPLJMH-LPHOPBHVSA-N 2 1 360.502 1.403 20 10 FDCDMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[C@@H]1[NH3+] ZINC000844222281 947855496 /nfs/dbraw/zinc/85/54/96/947855496.db2.gz CIHJWJPRGPLJMH-APWZRJJASA-N 2 1 360.502 1.403 20 10 FDCDMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[C@@H]1[NH3+] ZINC000844222281 947855500 /nfs/dbraw/zinc/85/55/00/947855500.db2.gz CIHJWJPRGPLJMH-APWZRJJASA-N 2 1 360.502 1.403 20 10 FDCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001144510463 949792440 /nfs/dbraw/zinc/79/24/40/949792440.db2.gz ZFPJXTMFCOASGZ-QRWLVFNGSA-N 2 1 362.470 1.984 20 10 FDCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144510463 949792447 /nfs/dbraw/zinc/79/24/47/949792447.db2.gz ZFPJXTMFCOASGZ-QRWLVFNGSA-N 2 1 362.470 1.984 20 10 FDCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144510463 949792451 /nfs/dbraw/zinc/79/24/51/949792451.db2.gz ZFPJXTMFCOASGZ-QRWLVFNGSA-N 2 1 362.470 1.984 20 10 FDCDMP C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001178156957 964119342 /nfs/dbraw/zinc/11/93/42/964119342.db2.gz NSBKXLJWNSFGQS-RDJZCZTQSA-N 2 1 351.466 1.861 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)cc1 ZINC000870886482 986462608 /nfs/dbraw/zinc/46/26/08/986462608.db2.gz KWYYECNERDRPCI-GUXCAODWSA-N 2 1 358.486 1.061 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000299582058 988606077 /nfs/dbraw/zinc/60/60/77/988606077.db2.gz VGUZIZUALUVEHG-LJQANCHMSA-N 2 1 360.502 1.418 20 10 FDCDMP COc1c(O)c(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000373910273 992515161 /nfs/dbraw/zinc/51/51/61/992515161.db2.gz IEAJJUOAAPSYPN-OAHLLOKOSA-N 2 1 364.446 1.521 20 10 FDCDMP COc1c([O-])c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000373910273 992515174 /nfs/dbraw/zinc/51/51/74/992515174.db2.gz IEAJJUOAAPSYPN-OAHLLOKOSA-N 2 1 364.446 1.521 20 10 FDCDMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666381 998516535 /nfs/dbraw/zinc/51/65/35/998516535.db2.gz LFAKOHHKXMKJJV-FXAWDEMLSA-N 2 1 373.545 1.920 20 10 FDCDMP CN1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000366572851 677452118 /nfs/dbraw/zinc/45/21/18/677452118.db2.gz JAWLPHASPCBPAF-DOTOQJQBSA-N 2 1 367.877 1.457 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C(N)=O)c3ccc(F)cc3)cc2)CC1 ZINC000905790729 852262288 /nfs/dbraw/zinc/26/22/88/852262288.db2.gz ZYSRNVIELIJFNX-IBGZPJMESA-N 2 1 356.445 1.894 20 10 FDCDMP CCN1CCN(CC(C)(C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000825275573 947140443 /nfs/dbraw/zinc/14/04/43/947140443.db2.gz UQTHORYZFUEQHT-UHFFFAOYSA-N 2 1 373.589 1.944 20 10 FDCDMP CCC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CC[NH2+]CC1 ZINC000844221148 947849875 /nfs/dbraw/zinc/84/98/75/947849875.db2.gz IKBDRRSYMVSZIP-UHFFFAOYSA-N 2 1 374.529 1.808 20 10 FDCDMP CCC[N@@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CC[NH2+]CC1 ZINC000844221148 947849883 /nfs/dbraw/zinc/84/98/83/947849883.db2.gz IKBDRRSYMVSZIP-UHFFFAOYSA-N 2 1 374.529 1.808 20 10 FDCDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c(O)cc(O)cc4O)C[C@H]3C2)cn1 ZINC001144508040 949733073 /nfs/dbraw/zinc/73/30/73/949733073.db2.gz HRHTXJDJPCUTDQ-HUUCEWRRSA-N 2 1 358.442 1.491 20 10 FDCDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c(O)cc(O)cc4O)C[C@H]3C2)cn1 ZINC001144508040 949733093 /nfs/dbraw/zinc/73/30/93/949733093.db2.gz HRHTXJDJPCUTDQ-HUUCEWRRSA-N 2 1 358.442 1.491 20 10 FDCDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c(O)cc(O)cc4O)C[C@H]3C2)cn1 ZINC001144508040 949733098 /nfs/dbraw/zinc/73/30/98/949733098.db2.gz HRHTXJDJPCUTDQ-HUUCEWRRSA-N 2 1 358.442 1.491 20 10 FDCDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c(O)cc(O)cc4O)C[C@H]3C2)cn1 ZINC001144508040 949733131 /nfs/dbraw/zinc/73/31/31/949733131.db2.gz HRHTXJDJPCUTDQ-HUUCEWRRSA-N 2 1 358.442 1.491 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000883149184 981980915 /nfs/dbraw/zinc/98/09/15/981980915.db2.gz UADWGVDNTNJCQB-VQTJNVASSA-N 2 1 371.529 1.864 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000883416276 982127586 /nfs/dbraw/zinc/12/75/86/982127586.db2.gz QOUVHNTUGBYFQZ-KRWDZBQOSA-N 2 1 357.502 1.474 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[NH2+]CC3(C)C)CC2)cc1 ZINC000884235284 983011230 /nfs/dbraw/zinc/01/12/30/983011230.db2.gz QRNDEKGVFQZAOF-SFHVURJKSA-N 2 1 360.502 1.179 20 10 FDCDMP COc1ccc(N2CCN(C(=O)CN(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000172843272 524282008 /nfs/dbraw/zinc/28/20/08/524282008.db2.gz NKTSHIXYDLXANL-MJGOQNOKSA-N 2 1 374.529 1.758 20 10 FDCDMP COc1c(O)c(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000375719161 783088619 /nfs/dbraw/zinc/08/86/19/783088619.db2.gz NHIDNWUPDHWBOM-CQSZACIVSA-N 2 1 364.446 1.567 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000892901690 791599212 /nfs/dbraw/zinc/59/92/12/791599212.db2.gz BLAJHGRMZHMWIP-APWZRJJASA-N 2 1 361.534 1.996 20 10 FDCDMP C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(O)c(CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000923119194 888082561 /nfs/dbraw/zinc/08/25/61/888082561.db2.gz ZNGRXSZYGDPADV-HZPDHXFCSA-N 2 1 360.458 1.135 20 10 FDCDMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000923376456 889045882 /nfs/dbraw/zinc/04/58/82/889045882.db2.gz XUZGVDSNZDNPKR-LJQANCHMSA-N 2 1 356.474 1.411 20 10 FDCDMP CN(C)CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCCO1 ZINC000809737904 940893750 /nfs/dbraw/zinc/89/37/50/940893750.db2.gz OUMLGTKYPZJJOQ-OAQYLSRUSA-N 2 1 360.546 1.981 20 10 FDCDMP CN(C)CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCCO1 ZINC000809737904 940893752 /nfs/dbraw/zinc/89/37/52/940893752.db2.gz OUMLGTKYPZJJOQ-OAQYLSRUSA-N 2 1 360.546 1.981 20 10 FDCDMP CN(CCC[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1)CC[NH+](C)C ZINC000809788500 940902172 /nfs/dbraw/zinc/90/21/72/940902172.db2.gz RYOWRULMGQMWPO-UHFFFAOYSA-N 2 1 366.525 1.978 20 10 FDCDMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892039 943066757 /nfs/dbraw/zinc/06/67/57/943066757.db2.gz JCODFDHMMFJTMK-ROUUACIJSA-N 2 1 351.516 1.671 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000844224496 947858333 /nfs/dbraw/zinc/85/83/33/947858333.db2.gz FXXTUBUSIKSODS-QGZVFWFLSA-N 2 1 360.502 1.056 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000844224496 947858335 /nfs/dbraw/zinc/85/83/35/947858335.db2.gz FXXTUBUSIKSODS-QGZVFWFLSA-N 2 1 360.502 1.056 20 10 FDCDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000105476202 974738714 /nfs/dbraw/zinc/73/87/14/974738714.db2.gz QHIOTWQBLOGBSJ-UHFFFAOYSA-N 2 1 364.509 1.780 20 10 FDCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000848546249 976897528 /nfs/dbraw/zinc/89/75/28/976897528.db2.gz WIRWUJLRDZATRQ-BONVTDFDSA-N 2 1 359.264 1.881 20 10 FDCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000848546249 976897531 /nfs/dbraw/zinc/89/75/31/976897531.db2.gz WIRWUJLRDZATRQ-BONVTDFDSA-N 2 1 359.264 1.881 20 10 FDCDMP CC(=O)c1cc(F)cc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1O ZINC000880996007 979567318 /nfs/dbraw/zinc/56/73/18/979567318.db2.gz LFNNZLKBCXVJOB-UHFFFAOYSA-N 2 1 361.421 1.339 20 10 FDCDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000367472727 988952969 /nfs/dbraw/zinc/95/29/69/988952969.db2.gz ULPFETAZOSQRJP-OAQYLSRUSA-N 2 1 358.530 1.735 20 10 FDCDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000367472727 988952974 /nfs/dbraw/zinc/95/29/74/988952974.db2.gz ULPFETAZOSQRJP-OAQYLSRUSA-N 2 1 358.530 1.735 20 10 FDCDMP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000364144691 989500789 /nfs/dbraw/zinc/50/07/89/989500789.db2.gz WJFBVPFJLRTDRB-DLBZAZTESA-N 2 1 360.477 1.726 20 10 FDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925859054 995799949 /nfs/dbraw/zinc/79/99/49/995799949.db2.gz VHLHBIJPMNSAIJ-OCCSQVGLSA-N 2 1 362.426 1.515 20 10 FDCDMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c1OC ZINC000892152344 781799152 /nfs/dbraw/zinc/79/91/52/781799152.db2.gz GSWVPSVSDQLSQY-NVXWUHKLSA-N 2 1 363.502 1.867 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCCC[N@@H+](C)C3)cc2)CC1 ZINC000896445134 824418850 /nfs/dbraw/zinc/41/88/50/824418850.db2.gz RRFYZBWMEPGQIO-LJQANCHMSA-N 2 1 373.545 1.970 20 10 FDCDMP COc1cc(Br)cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205208922 907357666 /nfs/dbraw/zinc/35/76/66/907357666.db2.gz GGVHCBRARNXROD-HNNXBMFYSA-N 2 1 359.264 1.839 20 10 FDCDMP COc1ccc(N2CCN(CC[NH2+][C@H](C)c3c[nH+]ccc3N)CC2)cc1 ZINC000817895343 943068369 /nfs/dbraw/zinc/06/83/69/943068369.db2.gz TXZFQJZEEOLDNQ-MRXNPFEDSA-N 2 1 355.486 1.976 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](N4CCNC4=O)C3)cc2)CC1 ZINC000775658093 971002707 /nfs/dbraw/zinc/00/27/07/971002707.db2.gz LWVRSDZLIAOELC-LJQANCHMSA-N 2 1 357.502 1.428 20 10 FDCDMP C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001178156955 964119093 /nfs/dbraw/zinc/11/90/93/964119093.db2.gz NSBKXLJWNSFGQS-DOTOQJQBSA-N 2 1 351.466 1.861 20 10 FDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000853249147 967944102 /nfs/dbraw/zinc/94/41/02/967944102.db2.gz NTLOBOBPNHCFRO-HNNXBMFYSA-N 2 1 371.485 1.913 20 10 FDCDMP COc1ccc(N2CCN(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000925509597 995634562 /nfs/dbraw/zinc/63/45/62/995634562.db2.gz YJNXGLLFQYYMIB-ILACCBGSSA-N 2 1 356.514 1.403 20 10 FDCDMP COc1ccc(N2CCN(CCC[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000925517235 995636698 /nfs/dbraw/zinc/63/66/98/995636698.db2.gz FTODYMSJYMKHHJ-ZBWQPJPKSA-N 2 1 370.541 1.793 20 10 FDCDMP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)C2)C1 ZINC000889663404 998513767 /nfs/dbraw/zinc/51/37/67/998513767.db2.gz QIJXQSYBTXNUQN-NRFANRHFSA-N 2 1 371.529 1.676 20 10 FDCDMP CN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000889669231 998518736 /nfs/dbraw/zinc/51/87/36/998518736.db2.gz CLXNKOOXVZACDU-HXUWFJFHSA-N 2 1 371.529 1.817 20 10 FDCDMP COc1c(O)c(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000375719160 783088317 /nfs/dbraw/zinc/08/83/17/783088317.db2.gz NHIDNWUPDHWBOM-AWEZNQCLSA-N 2 1 364.446 1.567 20 10 FDCDMP Oc1cc2c(cc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000702604352 884099515 /nfs/dbraw/zinc/09/95/15/884099515.db2.gz XLCRWZFUKZPGEQ-FQEVSTJZSA-N 2 1 356.422 1.848 20 10 FDCDMP Oc1cc2c(cc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000702604352 884099535 /nfs/dbraw/zinc/09/95/35/884099535.db2.gz XLCRWZFUKZPGEQ-FQEVSTJZSA-N 2 1 356.422 1.848 20 10 FDCDMP C[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000921748488 897557917 /nfs/dbraw/zinc/55/79/17/897557917.db2.gz IVUUVMDMCNEGPA-FQEVSTJZSA-N 2 1 371.529 1.722 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000814176772 941568260 /nfs/dbraw/zinc/56/82/60/941568260.db2.gz UEKCURWCZFXPEA-QGZVFWFLSA-N 2 1 351.516 1.305 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000814176772 941568262 /nfs/dbraw/zinc/56/82/62/941568262.db2.gz UEKCURWCZFXPEA-QGZVFWFLSA-N 2 1 351.516 1.305 20 10 FDCDMP CC[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[C@H]1[NH3+] ZINC000844222283 947854926 /nfs/dbraw/zinc/85/49/26/947854926.db2.gz CIHJWJPRGPLJMH-QFBILLFUSA-N 2 1 360.502 1.403 20 10 FDCDMP CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[C@H]1[NH3+] ZINC000844222283 947854938 /nfs/dbraw/zinc/85/49/38/947854938.db2.gz CIHJWJPRGPLJMH-QFBILLFUSA-N 2 1 360.502 1.403 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001186362549 964446361 /nfs/dbraw/zinc/44/63/61/964446361.db2.gz SRSOEBHENBVWSC-SFHVURJKSA-N 2 1 374.529 1.665 20 10 FDCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000848546250 976897485 /nfs/dbraw/zinc/89/74/85/976897485.db2.gz WIRWUJLRDZATRQ-MEBBXXQBSA-N 2 1 359.264 1.881 20 10 FDCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000848546250 976897492 /nfs/dbraw/zinc/89/74/92/976897492.db2.gz WIRWUJLRDZATRQ-MEBBXXQBSA-N 2 1 359.264 1.881 20 10 FDCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000848546251 976898305 /nfs/dbraw/zinc/89/83/05/976898305.db2.gz WIRWUJLRDZATRQ-ZUZCIYMTSA-N 2 1 359.264 1.881 20 10 FDCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000848546251 976898320 /nfs/dbraw/zinc/89/83/20/976898320.db2.gz WIRWUJLRDZATRQ-ZUZCIYMTSA-N 2 1 359.264 1.881 20 10 FDCDMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1(C)C ZINC000858135930 981853345 /nfs/dbraw/zinc/85/33/45/981853345.db2.gz HRHUKGKOVKYDEZ-QGZVFWFLSA-N 2 1 365.543 1.884 20 10 FDCDMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1(C)C ZINC000858135930 981853351 /nfs/dbraw/zinc/85/33/51/981853351.db2.gz HRHUKGKOVKYDEZ-QGZVFWFLSA-N 2 1 365.543 1.884 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000883741919 982430823 /nfs/dbraw/zinc/43/08/23/982430823.db2.gz UBQCQJONDRVOJQ-LJQANCHMSA-N 2 1 373.545 1.970 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)/C=C\[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000876782855 992911085 /nfs/dbraw/zinc/91/10/85/992911085.db2.gz WCVOJHRDMUZLMN-ASMLLPBJSA-N 2 1 372.513 1.489 20 10 FDCDMP COc1ccc(N2CCC[N@H+](CC(=O)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000877983865 993590911 /nfs/dbraw/zinc/59/09/11/993590911.db2.gz VHHBLMJQPQMDIC-UHFFFAOYSA-N 2 1 360.502 1.418 20 10 FDCDMP COc1ccc(N2CCC[N@@H+](CC(=O)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000877983865 993590917 /nfs/dbraw/zinc/59/09/17/993590917.db2.gz VHHBLMJQPQMDIC-UHFFFAOYSA-N 2 1 360.502 1.418 20 10 FDCDMP CCC[N@@H+](C)CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000195010259 1011544213 /nfs/dbraw/zinc/54/42/13/1011544213.db2.gz ZIXKGQCLXMQTLG-UHFFFAOYSA-N 2 1 362.518 1.665 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000292053064 537702495 /nfs/dbraw/zinc/70/24/95/537702495.db2.gz JIQVEYOBXHVODN-KRWDZBQOSA-N 2 1 360.502 1.466 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCN3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000771832567 930931414 /nfs/dbraw/zinc/93/14/14/930931414.db2.gz KIGSRSMDFJJRHV-UHFFFAOYSA-N 3 1 359.562 1.556 20 10 FDCDMP CN1CCN(c2ccc(C[NH2+]CCCN3CCC[N@H+](C)CC3)cc2)CC1 ZINC000771832567 930931417 /nfs/dbraw/zinc/93/14/17/930931417.db2.gz KIGSRSMDFJJRHV-UHFFFAOYSA-N 2 1 359.562 1.556 20 10 FDCDMP CN1CCN(c2ccc(C[NH2+]CCCN3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000771832567 930931420 /nfs/dbraw/zinc/93/14/20/930931420.db2.gz KIGSRSMDFJJRHV-UHFFFAOYSA-N 2 1 359.562 1.556 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000816619295 942279310 /nfs/dbraw/zinc/27/93/10/942279310.db2.gz ABUHLHMFTRANQD-SFHVURJKSA-N 2 1 365.543 1.695 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000816619295 942279312 /nfs/dbraw/zinc/27/93/12/942279312.db2.gz ABUHLHMFTRANQD-SFHVURJKSA-N 2 1 365.543 1.695 20 10 FDCDMP C[NH+]1CCN(c2ccc(CN3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc2)CC1 ZINC000775685326 971375097 /nfs/dbraw/zinc/37/50/97/971375097.db2.gz HERZYTWPUORAPY-JOCHJYFZSA-N 2 1 371.573 1.650 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](CC[NH3+])C3)CC2)cc1 ZINC000844223601 947857043 /nfs/dbraw/zinc/85/70/43/947857043.db2.gz ZWWBMNJSJHJKBE-QGZVFWFLSA-N 2 1 360.502 1.405 20 10 FDCDMP COCC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC000846103253 950560376 /nfs/dbraw/zinc/56/03/76/950560376.db2.gz UZPMQCHYMTWYNT-UHFFFAOYSA-N 2 1 360.546 1.981 20 10 FDCDMP COCCN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC000846103253 950560398 /nfs/dbraw/zinc/56/03/98/950560398.db2.gz UZPMQCHYMTWYNT-UHFFFAOYSA-N 2 1 360.546 1.981 20 10 FDCDMP COCCN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC000846103253 950560406 /nfs/dbraw/zinc/56/04/06/950560406.db2.gz UZPMQCHYMTWYNT-UHFFFAOYSA-N 2 1 360.546 1.981 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000846227485 950746374 /nfs/dbraw/zinc/74/63/74/950746374.db2.gz SUAQBRUIZMPAGI-MISYRCLQSA-N 2 1 374.529 1.730 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883133929 981970517 /nfs/dbraw/zinc/97/05/17/981970517.db2.gz KZLLKQPYFWKTCK-AZUAARDMSA-N 2 1 371.529 1.864 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+](C)CCCCCC[NH3+])CC2)cc1 ZINC000872155497 987471303 /nfs/dbraw/zinc/47/13/03/987471303.db2.gz MVNFRYYXCZQRRE-UHFFFAOYSA-N 2 1 362.518 1.795 20 10 FDCDMP CN(CCC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1)CC[NH+](C)C ZINC000877534753 993326617 /nfs/dbraw/zinc/32/66/17/993326617.db2.gz GVWAHTWOKHSGAE-UHFFFAOYSA-N 2 1 362.562 1.963 20 10 FDCDMP CCN1CCN(c2ccc(CNC(=O)NCCn3ccnc3)cc2F)CC1 ZINC000106512244 525733977 /nfs/dbraw/zinc/73/39/77/525733977.db2.gz VXNSPKXFPCQIND-UHFFFAOYSA-N 2 1 374.464 1.664 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000891254618 774147566 /nfs/dbraw/zinc/14/75/66/774147566.db2.gz ZNOFHCLVTHWLPQ-MSOLQXFVSA-N 2 1 364.559 1.909 20 10 FDCDMP CC(C)[NH+](C)CC(=O)Nc1ccc(O)c(CNC(=O)C[N@H+](C)C(C)C)c1 ZINC000923122390 888095215 /nfs/dbraw/zinc/09/52/15/888095215.db2.gz AVTQVLHCOLHIHN-UHFFFAOYSA-N 2 1 364.490 1.627 20 10 FDCDMP CC(C)[NH+](C)CC(=O)NCc1cc(NC(=O)C[N@H+](C)C(C)C)ccc1O ZINC000923122390 888095230 /nfs/dbraw/zinc/09/52/30/888095230.db2.gz AVTQVLHCOLHIHN-UHFFFAOYSA-N 2 1 364.490 1.627 20 10 FDCDMP CC(C)[NH+](C)CC(=O)NCc1cc(NC(=O)C[N@@H+](C)C(C)C)ccc1O ZINC000923122390 888095244 /nfs/dbraw/zinc/09/52/44/888095244.db2.gz AVTQVLHCOLHIHN-UHFFFAOYSA-N 2 1 364.490 1.627 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000844218926 947846187 /nfs/dbraw/zinc/84/61/87/947846187.db2.gz FKFAPLJWGXMSFD-SJORKVTESA-N 2 1 360.502 1.403 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000844218926 947846200 /nfs/dbraw/zinc/84/62/00/947846200.db2.gz FKFAPLJWGXMSFD-SJORKVTESA-N 2 1 360.502 1.403 20 10 FDCDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCc3cc(C[NH3+])ccc32)C1 ZINC000844219982 947848724 /nfs/dbraw/zinc/84/87/24/947848724.db2.gz PRGWKDOSHJGESE-IBGZPJMESA-N 2 1 374.529 1.371 20 10 FDCDMP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700495 971551135 /nfs/dbraw/zinc/55/11/35/971551135.db2.gz PFZXGIIPOJOHPM-CVEARBPZSA-N 2 1 353.532 1.692 20 10 FDCDMP C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700495 971551144 /nfs/dbraw/zinc/55/11/44/971551144.db2.gz PFZXGIIPOJOHPM-CVEARBPZSA-N 2 1 353.532 1.692 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000846225035 950735353 /nfs/dbraw/zinc/73/53/53/950735353.db2.gz IUQAEVMUXZNWLM-NLWGTHIKSA-N 2 1 374.529 1.587 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000846225034 950735907 /nfs/dbraw/zinc/73/59/07/950735907.db2.gz IUQAEVMUXZNWLM-CMKODMSKSA-N 2 1 374.529 1.587 20 10 FDCDMP COc1cccc(O)c1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248548 967943963 /nfs/dbraw/zinc/94/39/63/967943963.db2.gz HLNBTZVWPQNBJL-HNNXBMFYSA-N 2 1 371.485 1.913 20 10 FDCDMP CCN1CC[NH+](CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881851752 980214245 /nfs/dbraw/zinc/21/42/45/980214245.db2.gz PUNAPNQWPKPLGZ-UHFFFAOYSA-N 2 1 373.545 1.082 20 10 FDCDMP C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000883600702 982298042 /nfs/dbraw/zinc/29/80/42/982298042.db2.gz IIEOAZWGGMKJQY-QGZVFWFLSA-N 2 1 371.529 1.888 20 10 FDCDMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883701214 982394704 /nfs/dbraw/zinc/39/47/04/982394704.db2.gz HUFVFZGMBQLAMJ-KRWDZBQOSA-N 2 1 361.534 1.966 20 10 FDCDMP Cc1cc(O)c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Cl)c1 ZINC000872257530 987551837 /nfs/dbraw/zinc/55/18/37/987551837.db2.gz SJRCDBCXHSHHMW-PEYYIBSZSA-N 2 1 351.834 1.721 20 10 FDCDMP COc1cc(O)c(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1OC ZINC000367725459 988963926 /nfs/dbraw/zinc/96/39/26/988963926.db2.gz YYLOZYMHFUULGN-MRXNPFEDSA-N 2 1 363.502 1.869 20 10 FDCDMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000876782780 992910689 /nfs/dbraw/zinc/91/06/89/992910689.db2.gz UUNVINPALATFMX-OQRUQETBSA-N 2 1 372.513 1.345 20 10 FDCDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877042400 993026732 /nfs/dbraw/zinc/02/67/32/993026732.db2.gz WAFCPGANJJTMDF-FQEVSTJZSA-N 2 1 361.530 1.974 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000889669400 998519431 /nfs/dbraw/zinc/51/94/31/998519431.db2.gz IPBBTJPKLAPPAZ-UHFFFAOYSA-N 2 1 357.502 1.428 20 10 FDCDMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268888981 674103003 /nfs/dbraw/zinc/10/30/03/674103003.db2.gz ZLSRRMAZWBDYRU-RDJZCZTQSA-N 2 1 351.466 1.770 20 10 FDCDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000377627995 792353819 /nfs/dbraw/zinc/35/38/19/792353819.db2.gz PZWWCQUXDHXPPW-NRFANRHFSA-N 2 1 372.557 1.983 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC000843757529 818374078 /nfs/dbraw/zinc/37/40/78/818374078.db2.gz CITYAUAMFBVDPD-YLJYHZDGSA-N 2 1 374.529 1.664 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)[NH+](C)C)cc1 ZINC000899095358 845755128 /nfs/dbraw/zinc/75/51/28/845755128.db2.gz IFXQIOGNAKMAPW-UHOSZYNNSA-N 2 1 359.518 1.701 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)NCCC[NH+](C)C)CC2)cc1 ZINC000743358292 926330843 /nfs/dbraw/zinc/33/08/43/926330843.db2.gz HHYBQKFUVFBBLK-UHFFFAOYSA-N 2 1 363.506 1.068 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC(C)(C)CC[NH3+])CC2)cc1 ZINC000817876590 943058209 /nfs/dbraw/zinc/05/82/09/943058209.db2.gz GRLLDCZCKBBHSC-UHFFFAOYSA-N 2 1 363.506 1.244 20 10 FDCDMP C[NH+]1CCC(N2CC[C@@H](N3C(=O)CN(Cc4ccccc4O)C3=O)C2)CC1 ZINC000819169034 943457823 /nfs/dbraw/zinc/45/78/23/943457823.db2.gz XUKBZXZMRMOQHB-QGZVFWFLSA-N 2 1 372.469 1.325 20 10 FDCDMP C[N@@H+](C[C@H](O)CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000819200321 943473069 /nfs/dbraw/zinc/47/30/69/943473069.db2.gz NQCRMUXGHHLWRI-JOCHJYFZSA-N 2 1 372.557 1.763 20 10 FDCDMP CN(C[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000819200321 943473072 /nfs/dbraw/zinc/47/30/72/943473072.db2.gz NQCRMUXGHHLWRI-JOCHJYFZSA-N 2 1 372.557 1.763 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000844218925 947846000 /nfs/dbraw/zinc/84/60/00/947846000.db2.gz FKFAPLJWGXMSFD-IRXDYDNUSA-N 2 1 360.502 1.403 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000844218925 947846009 /nfs/dbraw/zinc/84/60/09/947846009.db2.gz FKFAPLJWGXMSFD-IRXDYDNUSA-N 2 1 360.502 1.403 20 10 FDCDMP C[C@H]([C@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000775700500 971550830 /nfs/dbraw/zinc/55/08/30/971550830.db2.gz PFZXGIIPOJOHPM-JKSUJKDBSA-N 2 1 353.532 1.692 20 10 FDCDMP C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000775700500 971550834 /nfs/dbraw/zinc/55/08/34/971550834.db2.gz PFZXGIIPOJOHPM-JKSUJKDBSA-N 2 1 353.532 1.692 20 10 FDCDMP CC(C)COC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001199721143 974476005 /nfs/dbraw/zinc/47/60/05/974476005.db2.gz FLIDPWCJGSIUJT-QGZVFWFLSA-N 2 1 353.482 1.701 20 10 FDCDMP Nc1nc(N)[nH+]c(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000858464758 982064162 /nfs/dbraw/zinc/06/41/62/982064162.db2.gz PWJKMINNZXDYAI-UHFFFAOYSA-N 2 1 354.462 1.180 20 10 FDCDMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000883456661 982163110 /nfs/dbraw/zinc/16/31/10/982163110.db2.gz FGQXUVLKZVFUSI-AEFFLSMTSA-N 2 1 359.518 1.720 20 10 FDCDMP COc1ccc(N2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000372455023 991123133 /nfs/dbraw/zinc/12/31/33/991123133.db2.gz MKWYNVQMRUIZEW-UHFFFAOYSA-N 2 1 360.502 1.371 20 10 FDCDMP COc1ccc(N2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000372455023 991123138 /nfs/dbraw/zinc/12/31/38/991123138.db2.gz MKWYNVQMRUIZEW-UHFFFAOYSA-N 2 1 360.502 1.371 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)cc2)CC1 ZINC000877790746 993515883 /nfs/dbraw/zinc/51/58/83/993515883.db2.gz GRHYXJKMVZFBIW-QZTJIDSGSA-N 2 1 363.527 1.305 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)cc2)CC1 ZINC000877790746 993515888 /nfs/dbraw/zinc/51/58/88/993515888.db2.gz GRHYXJKMVZFBIW-QZTJIDSGSA-N 2 1 363.527 1.305 20 10 FDCDMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000878426795 993951218 /nfs/dbraw/zinc/95/12/18/993951218.db2.gz PHUUTJKPHYZYOT-IBGZPJMESA-N 2 1 373.545 1.970 20 10 FDCDMP COc1c(O)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000278292770 675118140 /nfs/dbraw/zinc/11/81/40/675118140.db2.gz BWADRBMTIWBERI-CQSZACIVSA-N 2 1 353.419 1.636 20 10 FDCDMP COc1c(O)c(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000278292770 675118143 /nfs/dbraw/zinc/11/81/43/675118143.db2.gz BWADRBMTIWBERI-CQSZACIVSA-N 2 1 353.419 1.636 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000892901694 791599412 /nfs/dbraw/zinc/59/94/12/791599412.db2.gz BLAJHGRMZHMWIP-QFBILLFUSA-N 2 1 361.534 1.996 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[NH+](C)C)cc1 ZINC000899095692 845756757 /nfs/dbraw/zinc/75/67/57/845756757.db2.gz LBWQHQSTOUAPEM-ZIFCJYIRSA-N 2 1 359.518 1.558 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)CC2)cc1 ZINC000846224625 950736261 /nfs/dbraw/zinc/73/62/61/950736261.db2.gz UVZBXTLOOXFTFR-UWJYYQICSA-N 2 1 372.513 1.405 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)CC2)cc1 ZINC000846224625 950736278 /nfs/dbraw/zinc/73/62/78/950736278.db2.gz UVZBXTLOOXFTFR-UWJYYQICSA-N 2 1 372.513 1.405 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000846674916 951438898 /nfs/dbraw/zinc/43/88/98/951438898.db2.gz YBQQFUGLSHIULW-KRWDZBQOSA-N 2 1 360.502 1.323 20 10 FDCDMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000883456664 982162842 /nfs/dbraw/zinc/16/28/42/982162842.db2.gz FGQXUVLKZVFUSI-WMZOPIPTSA-N 2 1 359.518 1.720 20 10 FDCDMP COc1cc(O)c(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1OC ZINC000367725458 988964378 /nfs/dbraw/zinc/96/43/78/988964378.db2.gz YYLOZYMHFUULGN-INIZCTEOSA-N 2 1 363.502 1.869 20 10 FDCDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1(C)C ZINC000877499651 993307045 /nfs/dbraw/zinc/30/70/45/993307045.db2.gz RTSXZXXMUZZTLE-UHFFFAOYSA-N 2 1 360.546 1.763 20 10 FDCDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924731758 994957220 /nfs/dbraw/zinc/95/72/20/994957220.db2.gz ZNTRCHRIQZJISR-RYRLBTNJSA-N 2 1 356.514 1.818 20 10 FDCDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666383 998516336 /nfs/dbraw/zinc/51/63/36/998516336.db2.gz LFAKOHHKXMKJJV-XLIONFOSSA-N 2 1 373.545 1.920 20 10 FDCDMP CCOc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1O ZINC000289692599 1000113550 /nfs/dbraw/zinc/11/35/50/1000113550.db2.gz FPNYEGDSXUUSIM-UHFFFAOYSA-N 2 1 361.486 1.777 20 10 FDCDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000377627997 792353211 /nfs/dbraw/zinc/35/32/11/792353211.db2.gz PZWWCQUXDHXPPW-OAQYLSRUSA-N 2 1 372.557 1.983 20 10 FDCDMP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CC[N@H+]3C)cc2F)CC1 ZINC000917233941 883252914 /nfs/dbraw/zinc/25/29/14/883252914.db2.gz ZGAMRDLDCUERTH-MRXNPFEDSA-N 2 1 363.481 1.471 20 10 FDCDMP O=C(C[NH+]1CCCC1)NCc1cc(NC(=O)C[NH+]2CCCC2)ccc1O ZINC000923121560 888060819 /nfs/dbraw/zinc/06/08/19/888060819.db2.gz GPKDWPKYQJLOHN-UHFFFAOYSA-N 2 1 360.458 1.139 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000775644522 970768779 /nfs/dbraw/zinc/76/87/79/970768779.db2.gz MUZGJNGHJYLJKY-UHFFFAOYSA-N 3 1 371.573 1.652 20 10 FDCDMP C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809700649 940880033 /nfs/dbraw/zinc/88/00/33/940880033.db2.gz LGKDDRNEGYCBHD-GHTZIAJQSA-N 2 1 358.530 1.733 20 10 FDCDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509626 949786334 /nfs/dbraw/zinc/78/63/34/949786334.db2.gz GIBOJJNYLLENRM-FOIQADDNSA-N 2 1 362.470 1.984 20 10 FDCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509626 949786342 /nfs/dbraw/zinc/78/63/42/949786342.db2.gz GIBOJJNYLLENRM-FOIQADDNSA-N 2 1 362.470 1.984 20 10 FDCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509626 949786348 /nfs/dbraw/zinc/78/63/48/949786348.db2.gz GIBOJJNYLLENRM-FOIQADDNSA-N 2 1 362.470 1.984 20 10 FDCDMP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000852865797 967671456 /nfs/dbraw/zinc/67/14/56/967671456.db2.gz PMBOVSKFWKGLBH-CQSZACIVSA-N 2 1 357.458 1.704 20 10 FDCDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc(Br)ccc1O ZINC000849052179 977294861 /nfs/dbraw/zinc/29/48/61/977294861.db2.gz QVLAHFHOPNOCCK-UHFFFAOYSA-N 2 1 371.279 1.491 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000883741918 982430600 /nfs/dbraw/zinc/43/06/00/982430600.db2.gz UBQCQJONDRVOJQ-IBGZPJMESA-N 2 1 373.545 1.970 20 10 FDCDMP C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000878240383 993821713 /nfs/dbraw/zinc/82/17/13/993821713.db2.gz GTQIURWOKSRKGT-GOSISDBHSA-N 2 1 361.486 1.584 20 10 FDCDMP C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000878240383 993821722 /nfs/dbraw/zinc/82/17/22/993821722.db2.gz GTQIURWOKSRKGT-GOSISDBHSA-N 2 1 361.486 1.584 20 10 FDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925859052 995800216 /nfs/dbraw/zinc/80/02/16/995800216.db2.gz VHLHBIJPMNSAIJ-GXTWGEPZSA-N 2 1 362.426 1.515 20 10 FDCDMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@@H]21 ZINC000889658531 998506987 /nfs/dbraw/zinc/50/69/87/998506987.db2.gz GNJNUXCSVZZZJN-ICSRJNTNSA-N 2 1 371.529 1.674 20 10 FDCDMP C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000889661266 998511563 /nfs/dbraw/zinc/51/15/63/998511563.db2.gz VRURMQILKDXLIE-AZUAARDMSA-N 2 1 371.529 1.674 20 10 FDCDMP CN(C)c1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000289675857 1000112574 /nfs/dbraw/zinc/11/25/74/1000112574.db2.gz DQQSKRVGNLKVFI-UHFFFAOYSA-N 2 1 362.493 1.878 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CCCCCC[NH3+])CC2)cc1 ZINC000269299605 537019569 /nfs/dbraw/zinc/01/95/69/537019569.db2.gz QBSFTRBXBFHEGE-UHFFFAOYSA-N 2 1 362.518 1.843 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)NCCC(C)(C)[NH3+])CC2)cc1 ZINC000891449026 777812190 /nfs/dbraw/zinc/81/21/90/777812190.db2.gz ZKMHZGPOKSNRKF-UHFFFAOYSA-N 2 1 363.506 1.244 20 10 FDCDMP C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)CC1 ZINC000378350687 793985602 /nfs/dbraw/zinc/98/56/02/793985602.db2.gz PAAQGIAFPQPUBW-SFHVURJKSA-N 2 1 355.482 1.994 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](NC(=O)NC4CC4)C3)cc2)CC1 ZINC000761227884 864457972 /nfs/dbraw/zinc/45/79/72/864457972.db2.gz CWQOTOIHVFRSHL-SFHVURJKSA-N 2 1 357.502 1.474 20 10 FDCDMP C[NH+]1CCC[C@H]1C(=O)Nc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000923119192 888083129 /nfs/dbraw/zinc/08/31/29/888083129.db2.gz ZNGRXSZYGDPADV-HOTGVXAUSA-N 2 1 360.458 1.135 20 10 FDCDMP C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000789766116 933169692 /nfs/dbraw/zinc/16/96/92/933169692.db2.gz UIWCERCUOHPNJZ-KDURUIRLSA-N 2 1 360.546 1.979 20 10 FDCDMP CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825280223 947103763 /nfs/dbraw/zinc/10/37/63/947103763.db2.gz YZOQVGLHBUDZLH-SFHVURJKSA-N 2 1 359.518 1.674 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CC2)cc1 ZINC000844222963 947853880 /nfs/dbraw/zinc/85/38/80/947853880.db2.gz ONBWRJAQQIREDF-PWIZWCRZSA-N 2 1 372.513 1.403 20 10 FDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000844223745 947856260 /nfs/dbraw/zinc/85/62/60/947856260.db2.gz BKHTXKYHHZAMPH-SFHVURJKSA-N 2 1 374.529 1.398 20 10 FDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000844223745 947856268 /nfs/dbraw/zinc/85/62/68/947856268.db2.gz BKHTXKYHHZAMPH-SFHVURJKSA-N 2 1 374.529 1.398 20 10 FDCDMP C[N@@H+](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCSC1 ZINC000881851900 980214656 /nfs/dbraw/zinc/21/46/56/980214656.db2.gz DBDDVEVJKJSHNV-GOSISDBHSA-N 2 1 362.543 1.492 20 10 FDCDMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883452438 982159599 /nfs/dbraw/zinc/15/95/99/982159599.db2.gz WMRCEQQIKBREDX-LJQANCHMSA-N 2 1 359.518 1.722 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[NH2+]CC3(C)C)CC2)cc1 ZINC000884235283 983011177 /nfs/dbraw/zinc/01/11/77/983011177.db2.gz QRNDEKGVFQZAOF-GOSISDBHSA-N 2 1 360.502 1.179 20 10 FDCDMP COc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000873043575 988470256 /nfs/dbraw/zinc/47/02/56/988470256.db2.gz ZPCKRURKYXRPCE-UHFFFAOYSA-N 2 1 371.485 1.194 20 10 FDCDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877042401 993027005 /nfs/dbraw/zinc/02/70/05/993027005.db2.gz WAFCPGANJJTMDF-HXUWFJFHSA-N 2 1 361.530 1.974 20 10 FDCDMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@H]21 ZINC000889658533 998507332 /nfs/dbraw/zinc/50/73/32/998507332.db2.gz GNJNUXCSVZZZJN-UYAOXDASSA-N 2 1 371.529 1.674 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@@H+]3CC=CCC3)cc2)CC1 ZINC000889665494 998515177 /nfs/dbraw/zinc/51/51/77/998515177.db2.gz QCDSLCMPOQXBOX-UHFFFAOYSA-N 2 1 357.502 1.500 20 10 FDCDMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889666085 998516654 /nfs/dbraw/zinc/51/66/54/998516654.db2.gz DXEYXCUARKMNEH-IBGZPJMESA-N 2 1 373.545 1.922 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)NCC3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000889666822 998518028 /nfs/dbraw/zinc/51/80/28/998518028.db2.gz RSIROFIXLKLBLB-UHFFFAOYSA-N 2 1 357.502 1.500 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000288574396 1000028689 /nfs/dbraw/zinc/02/86/89/1000028689.db2.gz AXIOZDVVCPIHGH-UHFFFAOYSA-N 2 1 363.550 1.184 20 10 FDCDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000185341096 536206077 /nfs/dbraw/zinc/20/60/77/536206077.db2.gz ZEJKBARYSYTTMK-LBPRGKRZSA-N 2 1 370.291 1.969 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])CC2)cc1 ZINC000846225889 950737639 /nfs/dbraw/zinc/73/76/39/950737639.db2.gz HAVNQIUIACKFRH-FXAWDEMLSA-N 2 1 374.529 1.793 20 10 FDCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775642974 970738025 /nfs/dbraw/zinc/73/80/25/970738025.db2.gz QQOVSOLUMJHGPV-GOSISDBHSA-N 2 1 351.516 1.447 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)N(C)CC(C)(C)[NH3+])CC2)cc1 ZINC000851657025 978986579 /nfs/dbraw/zinc/98/65/79/978986579.db2.gz TVIDKDIKALDFQO-UHFFFAOYSA-N 2 1 363.506 1.196 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)Cn3c[nH+]cc3C)CC2)cc1 ZINC000858180198 981900122 /nfs/dbraw/zinc/90/01/22/981900122.db2.gz NBCJGEQXGDDQFU-UHFFFAOYSA-N 2 1 371.485 1.529 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000883358622 982094029 /nfs/dbraw/zinc/09/40/29/982094029.db2.gz OOLUQFSJENGFNE-GOSISDBHSA-N 2 1 359.518 1.579 20 10 FDCDMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[N@H+]1C1CC1 ZINC000883505240 982225487 /nfs/dbraw/zinc/22/54/87/982225487.db2.gz YVZTTWZWVPGTNW-FUHWJXTLSA-N 2 1 371.529 1.863 20 10 FDCDMP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1c(O)cccc1F ZINC000886625534 986430329 /nfs/dbraw/zinc/43/03/29/986430329.db2.gz UFVQFGYDHCAVMN-HNNXBMFYSA-N 2 1 351.466 1.979 20 10 FDCDMP COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(O)c1 ZINC000368437268 537980995 /nfs/dbraw/zinc/98/09/95/537980995.db2.gz DRZKNKSDUSKJJB-HNNXBMFYSA-N 2 1 362.474 1.369 20 10 FDCDMP COc1ccc(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000368437268 537980999 /nfs/dbraw/zinc/98/09/99/537980999.db2.gz DRZKNKSDUSKJJB-HNNXBMFYSA-N 2 1 362.474 1.369 20 10 FDCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000614853509 555127968 /nfs/dbraw/zinc/12/79/68/555127968.db2.gz XTUDYZPPMCYLFF-MRXNPFEDSA-N 2 1 372.513 1.447 20 10 FDCDMP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000840830360 827100549 /nfs/dbraw/zinc/10/05/49/827100549.db2.gz DWQCAILUJHOJRU-HNNXBMFYSA-N 2 1 351.466 1.979 20 10 FDCDMP CN1CCN(c2ccc(C[NH+]3CCC4(CO[C@@H](C[NH3+])C4)CC3)cc2)CC1 ZINC000904391462 851174277 /nfs/dbraw/zinc/17/42/77/851174277.db2.gz GNBZIJVEGGHEFL-HXUWFJFHSA-N 2 1 358.530 1.768 20 10 FDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2[NH2+]CCOc3ccccc32)cc1 ZINC000911667189 858879935 /nfs/dbraw/zinc/87/99/35/858879935.db2.gz OTJDINZMEXZLJI-MJGOQNOKSA-N 2 1 354.454 1.592 20 10 FDCDMP COc1cc(Br)cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205208924 907337744 /nfs/dbraw/zinc/33/77/44/907337744.db2.gz GGVHCBRARNXROD-OAHLLOKOSA-N 2 1 359.264 1.839 20 10 FDCDMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000771842102 930915226 /nfs/dbraw/zinc/91/52/26/930915226.db2.gz JFAIJUKBVUXPBZ-UHFFFAOYSA-N 2 1 360.546 1.763 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000844224135 947856200 /nfs/dbraw/zinc/85/62/00/947856200.db2.gz GEPKJUMPNLOOPZ-SQNIBIBYSA-N 2 1 374.529 1.649 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000844224135 947856212 /nfs/dbraw/zinc/85/62/12/947856212.db2.gz GEPKJUMPNLOOPZ-SQNIBIBYSA-N 2 1 374.529 1.649 20 10 FDCDMP C[N@@H+](CCCO)C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775695846 971546409 /nfs/dbraw/zinc/54/64/09/971546409.db2.gz DHMONMXBVJLKLX-UHFFFAOYSA-N 2 1 360.546 1.717 20 10 FDCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775642976 970737711 /nfs/dbraw/zinc/73/77/11/970737711.db2.gz QQOVSOLUMJHGPV-SFHVURJKSA-N 2 1 351.516 1.447 20 10 FDCDMP Cc1cc(Br)cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1O ZINC000863648099 973089419 /nfs/dbraw/zinc/08/94/19/973089419.db2.gz JLRSZKBQPQOHNG-UHFFFAOYSA-N 2 1 353.220 1.707 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CC2)cc1 ZINC000848415833 976723007 /nfs/dbraw/zinc/72/30/07/976723007.db2.gz QMRCZUOIVUBDPR-FPOVZHCZSA-N 2 1 372.513 1.323 20 10 FDCDMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883331458 982074138 /nfs/dbraw/zinc/07/41/38/982074138.db2.gz YMYOJDQMYNSBTA-IBGZPJMESA-N 2 1 373.545 1.970 20 10 FDCDMP COc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1Cn1cccn1 ZINC000873020910 988425340 /nfs/dbraw/zinc/42/53/40/988425340.db2.gz FKWJQSKOCZYNMT-UHFFFAOYSA-N 2 1 358.486 1.876 20 10 FDCDMP COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)C1 ZINC000877715676 993468288 /nfs/dbraw/zinc/46/82/88/993468288.db2.gz ZZXKAHOWLBCCTL-FQEVSTJZSA-N 2 1 372.469 1.332 20 10 FDCDMP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@@H+](C)C(C)C)cc2F)CC1 ZINC000106829747 525800872 /nfs/dbraw/zinc/80/08/72/525800872.db2.gz OJYIEVDVOIXITQ-UHFFFAOYSA-N 2 1 350.482 1.924 20 10 FDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705038 538091082 /nfs/dbraw/zinc/09/10/82/538091082.db2.gz DHZVAZTXGZNNJS-DENIHFKCSA-N 2 1 372.557 1.981 20 10 FDCDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000219817170 672411748 /nfs/dbraw/zinc/41/17/48/672411748.db2.gz JMPJVSWCZUUHRW-LLVKDONJSA-N 2 1 356.264 1.442 20 10 FDCDMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1OC ZINC000892152347 781798867 /nfs/dbraw/zinc/79/88/67/781798867.db2.gz GSWVPSVSDQLSQY-RDJZCZTQSA-N 2 1 363.502 1.867 20 10 FDCDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841955249 840213742 /nfs/dbraw/zinc/21/37/42/840213742.db2.gz XHIWBBJZZBHAGP-LJQANCHMSA-N 2 1 361.534 1.869 20 10 FDCDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000817895011 943068838 /nfs/dbraw/zinc/06/88/38/943068838.db2.gz SPMUBTHSINYGQI-MSOLQXFVSA-N 2 1 370.476 1.912 20 10 FDCDMP CCC(CC)(C[NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000844191613 947830825 /nfs/dbraw/zinc/83/08/25/947830825.db2.gz ZHFVFHLGNKREOD-UHFFFAOYSA-N 2 1 362.518 1.699 20 10 FDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000844162909 947841532 /nfs/dbraw/zinc/84/15/32/947841532.db2.gz ORPQBTNZFKBFFS-UXHICEINSA-N 2 1 367.497 1.928 20 10 FDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1 ZINC000844162909 947841540 /nfs/dbraw/zinc/84/15/40/947841540.db2.gz ORPQBTNZFKBFFS-UXHICEINSA-N 2 1 367.497 1.928 20 10 FDCDMP CC(=O)N1CCC(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001177702872 963942888 /nfs/dbraw/zinc/94/28/88/963942888.db2.gz QLEVJPZKSLVHPM-UHFFFAOYSA-N 2 1 362.493 1.926 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)CC[N@H+]2CC[C@H](F)C2)[NH+](C)C)cc1 ZINC001180178557 965128028 /nfs/dbraw/zinc/12/80/28/965128028.db2.gz CQAHYEVFDZVMBD-FUHWJXTLSA-N 2 1 350.482 1.905 20 10 FDCDMP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000850353878 978331357 /nfs/dbraw/zinc/33/13/57/978331357.db2.gz PAESAESRYVWLBI-IBGZPJMESA-N 2 1 361.578 1.800 20 10 FDCDMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000367472726 988953277 /nfs/dbraw/zinc/95/32/77/988953277.db2.gz ULPFETAZOSQRJP-NRFANRHFSA-N 2 1 358.530 1.735 20 10 FDCDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000367472726 988953280 /nfs/dbraw/zinc/95/32/80/988953280.db2.gz ULPFETAZOSQRJP-NRFANRHFSA-N 2 1 358.530 1.735 20 10 FDCDMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000877641079 993400330 /nfs/dbraw/zinc/40/03/30/993400330.db2.gz VZTXRUQLJCBVDD-NRFANRHFSA-N 2 1 359.514 1.679 20 10 FDCDMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000877641079 993400345 /nfs/dbraw/zinc/40/03/45/993400345.db2.gz VZTXRUQLJCBVDD-NRFANRHFSA-N 2 1 359.514 1.679 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC3CC[NH2+]CC3)CC2)cc1 ZINC000269288927 537019606 /nfs/dbraw/zinc/01/96/06/537019606.db2.gz JSNPEQFYIZIISP-UHFFFAOYSA-N 2 1 360.502 1.323 20 10 FDCDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000219817235 672411841 /nfs/dbraw/zinc/41/18/41/672411841.db2.gz JMPJVSWCZUUHRW-NSHDSACASA-N 2 1 356.264 1.442 20 10 FDCDMP Cn1nccc1[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000897557869 839514677 /nfs/dbraw/zinc/51/46/77/839514677.db2.gz CEIVPSNAVDOPCR-FQEVSTJZSA-N 2 1 355.486 1.745 20 10 FDCDMP Cn1nccc1[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000897557869 839514688 /nfs/dbraw/zinc/51/46/88/839514688.db2.gz CEIVPSNAVDOPCR-FQEVSTJZSA-N 2 1 355.486 1.745 20 10 FDCDMP CN(CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC000809735079 940888094 /nfs/dbraw/zinc/88/80/94/940888094.db2.gz WUSVWDFYPHUQRT-UHFFFAOYSA-N 2 1 360.546 1.981 20 10 FDCDMP C[NH+]1CCN(c2ccc(CN3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2)CC1 ZINC000775685327 971375622 /nfs/dbraw/zinc/37/56/22/971375622.db2.gz HERZYTWPUORAPY-QFIPXVFZSA-N 2 1 371.573 1.650 20 10 FDCDMP O[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C[NH+]1CCCC1 ZINC000863553733 973010998 /nfs/dbraw/zinc/01/09/98/973010998.db2.gz IZTCXQBYHFIJPM-QFIPXVFZSA-N 3 1 372.557 1.765 20 10 FDCDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872255346 987547733 /nfs/dbraw/zinc/54/77/33/987547733.db2.gz CIEYCXDIYWLEDO-IGBSGPOWSA-N 2 1 356.470 1.633 20 10 FDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925859055 995800206 /nfs/dbraw/zinc/80/02/06/995800206.db2.gz VHLHBIJPMNSAIJ-TZMCWYRMSA-N 2 1 362.426 1.515 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000889659281 998508528 /nfs/dbraw/zinc/50/85/28/998508528.db2.gz TWHCAWIWSJKIJO-UHFFFAOYSA-N 2 1 359.518 1.674 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)Cn3cc[nH+]c3C)CC2)cc1 ZINC000194116292 1011132104 /nfs/dbraw/zinc/13/21/04/1011132104.db2.gz FWIVBBQVCUDVBS-UHFFFAOYSA-N 2 1 371.485 1.529 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000893018957 792495272 /nfs/dbraw/zinc/49/52/72/792495272.db2.gz OHNBMTNGMLTCAC-VQIMIIECSA-N 2 1 359.518 1.891 20 10 FDCDMP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000364144696 795282476 /nfs/dbraw/zinc/28/24/76/795282476.db2.gz WJFBVPFJLRTDRB-IRXDYDNUSA-N 2 1 360.477 1.726 20 10 FDCDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)C1 ZINC000765978851 874170353 /nfs/dbraw/zinc/17/03/53/874170353.db2.gz QEMKPPORDCCCPF-APWZRJJASA-N 2 1 365.543 1.741 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNc3cc[nH+]cc3C(N)=O)CC2)cc1 ZINC000180006002 889106822 /nfs/dbraw/zinc/10/68/22/889106822.db2.gz QXQUUIRHEPMYCW-UHFFFAOYSA-N 2 1 369.469 1.813 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CN3CCOCC3)cc2)CC1 ZINC000775659843 970994431 /nfs/dbraw/zinc/99/44/31/970994431.db2.gz PJFGHRVKJTZJAR-OAQYLSRUSA-N 2 1 358.530 1.735 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C=C3CC[NH2+]CC3)CC2)cc1 ZINC000852873476 967679933 /nfs/dbraw/zinc/67/99/33/967679933.db2.gz WENADADDPMOARM-UHFFFAOYSA-N 2 1 358.486 1.243 20 10 FDCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775643608 970748369 /nfs/dbraw/zinc/74/83/69/970748369.db2.gz SOMAGOYKZODNEX-IBGZPJMESA-N 2 1 365.543 1.838 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C[C@@H]4CCOC4)nn3)cc2)CC1 ZINC000883282880 982042884 /nfs/dbraw/zinc/04/28/84/982042884.db2.gz JDRSNKBLKHYXFT-SFHVURJKSA-N 2 1 370.501 1.356 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000883416277 982127862 /nfs/dbraw/zinc/12/78/62/982127862.db2.gz QOUVHNTUGBYFQZ-QGZVFWFLSA-N 2 1 357.502 1.474 20 10 FDCDMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883514713 982233281 /nfs/dbraw/zinc/23/32/81/982233281.db2.gz OYWRAIKGPULZEM-OXJNMPFZSA-N 2 1 371.529 1.720 20 10 FDCDMP COc1cc(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OC ZINC000371357862 990378938 /nfs/dbraw/zinc/37/89/38/990378938.db2.gz RULXNBOKGSMFAF-RDJZCZTQSA-N 2 1 363.502 1.867 20 10 FDCDMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@@H]21 ZINC000889658532 998507124 /nfs/dbraw/zinc/50/71/24/998507124.db2.gz GNJNUXCSVZZZJN-QUCCMNQESA-N 2 1 371.529 1.674 20 10 FDCDMP CCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000889661367 998511136 /nfs/dbraw/zinc/51/11/36/998511136.db2.gz YMPRTUPBOYFUNJ-IBGZPJMESA-N 2 1 359.518 1.674 20 10 FDCDMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889666086 998516905 /nfs/dbraw/zinc/51/69/05/998516905.db2.gz DXEYXCUARKMNEH-LJQANCHMSA-N 2 1 373.545 1.922 20 10 FDCDMP COc1c(O)c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000278292760 675118061 /nfs/dbraw/zinc/11/80/61/675118061.db2.gz BWADRBMTIWBERI-AWEZNQCLSA-N 2 1 353.419 1.636 20 10 FDCDMP COc1c(O)c(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000278292760 675118064 /nfs/dbraw/zinc/11/80/64/675118064.db2.gz BWADRBMTIWBERI-AWEZNQCLSA-N 2 1 353.419 1.636 20 10 FDCDMP CN1CC(=O)Nc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)[nH+]c21 ZINC001167426987 774586448 /nfs/dbraw/zinc/58/64/48/774586448.db2.gz SDTUKBWCMRSBPP-UHFFFAOYSA-N 2 1 366.469 1.834 20 10 FDCDMP CN(C)CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCCO1 ZINC000809737903 940893712 /nfs/dbraw/zinc/89/37/12/940893712.db2.gz OUMLGTKYPZJJOQ-NRFANRHFSA-N 2 1 360.546 1.981 20 10 FDCDMP CN(C)CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCCO1 ZINC000809737903 940893716 /nfs/dbraw/zinc/89/37/16/940893716.db2.gz OUMLGTKYPZJJOQ-NRFANRHFSA-N 2 1 360.546 1.981 20 10 FDCDMP C[NH+]1CCC(N2CC[C@H](N3C(=O)CN(Cc4ccccc4O)C3=O)C2)CC1 ZINC000819169032 943457966 /nfs/dbraw/zinc/45/79/66/943457966.db2.gz XUKBZXZMRMOQHB-KRWDZBQOSA-N 2 1 372.469 1.325 20 10 FDCDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c(O)cc(O)cc4O)C[C@@H]3C2)cn1 ZINC001144509677 949786408 /nfs/dbraw/zinc/78/64/08/949786408.db2.gz HRHTXJDJPCUTDQ-CABCVRRESA-N 2 1 358.442 1.491 20 10 FDCDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c(O)cc(O)cc4O)C[C@@H]3C2)cn1 ZINC001144509677 949786412 /nfs/dbraw/zinc/78/64/12/949786412.db2.gz HRHTXJDJPCUTDQ-CABCVRRESA-N 2 1 358.442 1.491 20 10 FDCDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c(O)cc(O)cc4O)C[C@@H]3C2)cn1 ZINC001144509677 949786416 /nfs/dbraw/zinc/78/64/16/949786416.db2.gz HRHTXJDJPCUTDQ-CABCVRRESA-N 2 1 358.442 1.491 20 10 FDCDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c(O)cc(O)cc4O)C[C@@H]3C2)cn1 ZINC001144509677 949786421 /nfs/dbraw/zinc/78/64/21/949786421.db2.gz HRHTXJDJPCUTDQ-CABCVRRESA-N 2 1 358.442 1.491 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000846225036 950735727 /nfs/dbraw/zinc/73/57/27/950735727.db2.gz IUQAEVMUXZNWLM-NSHGMRRFSA-N 2 1 374.529 1.587 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C3([NH3+])CC4(CCC4)C3)CC2)cc1 ZINC000852873553 967681189 /nfs/dbraw/zinc/68/11/89/967681189.db2.gz YNXMOYVZJIFZCX-UHFFFAOYSA-N 2 1 372.513 1.595 20 10 FDCDMP CN(C)c1ccc(-c2nc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cs2)cc1 ZINC001193176632 969504847 /nfs/dbraw/zinc/50/48/47/969504847.db2.gz UUXXHSXSPZIACG-UHFFFAOYSA-N 2 1 360.487 1.951 20 10 FDCDMP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@H+]3CC[C@H](C)C3)cc2F)CC1 ZINC000847454632 975646344 /nfs/dbraw/zinc/64/63/44/975646344.db2.gz LLSNNAHFPYYVLR-INIZCTEOSA-N 2 1 362.493 1.926 20 10 FDCDMP O=S1(=O)CCN(c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000850508986 978410012 /nfs/dbraw/zinc/41/00/12/978410012.db2.gz WTNSKQCQXYIBNW-UHFFFAOYSA-N 2 1 363.527 1.638 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000883135937 981971708 /nfs/dbraw/zinc/97/17/08/981971708.db2.gz QEXMFOCNWBTSBY-SFHVURJKSA-N 2 1 371.529 1.722 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000870886556 986462384 /nfs/dbraw/zinc/46/23/84/986462384.db2.gz NYQVDIISJXYNHV-UHFFFAOYSA-N 2 1 372.513 1.466 20 10 FDCDMP CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2F)CC1 ZINC000874440192 990282283 /nfs/dbraw/zinc/28/22/83/990282283.db2.gz ZJWFMFRMTJBTBH-KRWDZBQOSA-N 2 1 362.493 1.926 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000892901696 791598833 /nfs/dbraw/zinc/59/88/33/791598833.db2.gz BLAJHGRMZHMWIP-VQIMIIECSA-N 2 1 361.534 1.996 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000892901692 791599122 /nfs/dbraw/zinc/59/91/22/791599122.db2.gz BLAJHGRMZHMWIP-LPHOPBHVSA-N 2 1 361.534 1.996 20 10 FDCDMP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000364144699 795282373 /nfs/dbraw/zinc/28/23/73/795282373.db2.gz WJFBVPFJLRTDRB-SJORKVTESA-N 2 1 360.477 1.726 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)N2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000899103342 845775698 /nfs/dbraw/zinc/77/56/98/845775698.db2.gz ZRJCQUAUZDLVBE-IBGZPJMESA-N 2 1 359.518 1.845 20 10 FDCDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(O)cc3O)CC2)CC1 ZINC000910946962 857958130 /nfs/dbraw/zinc/95/81/30/857958130.db2.gz XGOHXLVRXDGSLY-UHFFFAOYSA-N 2 1 361.486 1.910 20 10 FDCDMP CCC[NH+]1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000765976978 873921505 /nfs/dbraw/zinc/92/15/05/873921505.db2.gz DCNHNLQVBJRNQV-UHFFFAOYSA-N 2 1 365.543 1.885 20 10 FDCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+])CC2)cc1 ZINC000923294022 888786545 /nfs/dbraw/zinc/78/65/45/888786545.db2.gz DDXPXHBCMAJLSZ-SFHVURJKSA-N 2 1 364.534 1.095 20 10 FDCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)CC(C)(C)C[NH3+])CC2)cc1 ZINC000923294022 888786553 /nfs/dbraw/zinc/78/65/53/888786553.db2.gz DDXPXHBCMAJLSZ-SFHVURJKSA-N 2 1 364.534 1.095 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)CC2)cc1 ZINC000923501309 889519392 /nfs/dbraw/zinc/51/93/92/889519392.db2.gz QFYKOTGPLFNAEX-DLBZAZTESA-N 2 1 360.502 1.261 20 10 FDCDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cc1C ZINC001082459160 907881065 /nfs/dbraw/zinc/88/10/65/907881065.db2.gz PUWWQXYWVIFMOO-SZVBFZGTSA-N 2 1 361.486 1.271 20 10 FDCDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cc1C ZINC001082459160 907881082 /nfs/dbraw/zinc/88/10/82/907881082.db2.gz PUWWQXYWVIFMOO-SZVBFZGTSA-N 2 1 361.486 1.271 20 10 FDCDMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892037 943066824 /nfs/dbraw/zinc/06/68/24/943066824.db2.gz JCODFDHMMFJTMK-MSOLQXFVSA-N 2 1 351.516 1.671 20 10 FDCDMP Cn1ccnc1CN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775681314 971374184 /nfs/dbraw/zinc/37/41/84/971374184.db2.gz OTFABKQNKGQXPO-UHFFFAOYSA-N 2 1 368.529 1.490 20 10 FDCDMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000854231816 968702255 /nfs/dbraw/zinc/70/22/55/968702255.db2.gz NGHIPXCNGNGMIU-GFCCVEGCSA-N 2 1 361.421 1.467 20 10 FDCDMP Oc1cc2c(cc1C[NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)OCO2 ZINC000850357874 978334496 /nfs/dbraw/zinc/33/44/96/978334496.db2.gz WZJCVXILDACPMZ-KRWDZBQOSA-N 2 1 356.422 1.977 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883133931 981970714 /nfs/dbraw/zinc/97/07/14/981970714.db2.gz KZLLKQPYFWKTCK-QUCCMNQESA-N 2 1 371.529 1.864 20 10 FDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925859053 995799892 /nfs/dbraw/zinc/79/98/92/995799892.db2.gz VHLHBIJPMNSAIJ-JSGCOSHPSA-N 2 1 362.426 1.515 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C3CC[NH+](C)CC3)CC2)cc1 ZINC000266837328 999244077 /nfs/dbraw/zinc/24/40/77/999244077.db2.gz LTCGCCHJGWDDLT-UHFFFAOYSA-N 2 1 360.502 1.275 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)[NH+](C)C)cc1 ZINC000899095357 845755668 /nfs/dbraw/zinc/75/56/68/845755668.db2.gz IFXQIOGNAKMAPW-QXAKKESOSA-N 2 1 359.518 1.701 20 10 FDCDMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000765981516 877414897 /nfs/dbraw/zinc/41/48/97/877414897.db2.gz VYVUQRMXLAVYOW-UHFFFAOYSA-N 2 1 365.543 1.884 20 10 FDCDMP CCC[N@@H+](C)CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730286654 916478189 /nfs/dbraw/zinc/47/81/89/916478189.db2.gz UEKPERZCAQNSDH-UHFFFAOYSA-N 2 1 350.482 1.926 20 10 FDCDMP Oc1ccc(Br)cc1CNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001171168195 948792750 /nfs/dbraw/zinc/79/27/50/948792750.db2.gz POXRRJKIKCSUHB-UHFFFAOYSA-N 2 1 364.247 1.966 20 10 FDCDMP COc1cc(Br)cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1O ZINC001204339803 961957376 /nfs/dbraw/zinc/95/73/76/961957376.db2.gz UNQWDCOXASXGCY-UHFFFAOYSA-N 2 1 372.307 1.843 20 10 FDCDMP COc1c(O)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000863651892 973092956 /nfs/dbraw/zinc/09/29/56/973092956.db2.gz JOTAXBXUPCPPLV-HNNXBMFYSA-N 2 1 365.430 1.900 20 10 FDCDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000882985056 981861620 /nfs/dbraw/zinc/86/16/20/981861620.db2.gz FHWWYDFFHAIUST-UHFFFAOYSA-N 2 1 360.546 1.765 20 10 FDCDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877526878 993320992 /nfs/dbraw/zinc/32/09/92/993320992.db2.gz MKAGVKQSSLIWLD-UHFFFAOYSA-N 2 1 360.546 1.717 20 10 FDCDMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@H]21 ZINC000889658530 998507192 /nfs/dbraw/zinc/50/71/92/998507192.db2.gz GNJNUXCSVZZZJN-AZUAARDMSA-N 2 1 371.529 1.674 20 10 FDCDMP COc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(O)c1OC ZINC000894454663 818065943 /nfs/dbraw/zinc/06/59/43/818065943.db2.gz ZHTQSGQKFYKZKZ-UHFFFAOYSA-N 2 1 351.491 1.867 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000729510239 820087797 /nfs/dbraw/zinc/08/77/97/820087797.db2.gz KKCMBWHHZXJXGE-KRWDZBQOSA-N 2 1 360.502 1.275 20 10 FDCDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000817895013 943069346 /nfs/dbraw/zinc/06/93/46/943069346.db2.gz SPMUBTHSINYGQI-ROUUACIJSA-N 2 1 370.476 1.912 20 10 FDCDMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2F)CC1 ZINC000817902515 943070956 /nfs/dbraw/zinc/07/09/56/943070956.db2.gz SAOSZBUIVZIHFJ-VDZJLULYSA-N 2 1 364.509 1.810 20 10 FDCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000775696196 971545978 /nfs/dbraw/zinc/54/59/78/971545978.db2.gz INGVXCADPRSGDD-INIZCTEOSA-N 2 1 353.532 1.693 20 10 FDCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000775696196 971545984 /nfs/dbraw/zinc/54/59/84/971545984.db2.gz INGVXCADPRSGDD-INIZCTEOSA-N 2 1 353.532 1.693 20 10 FDCDMP C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700498 971551217 /nfs/dbraw/zinc/55/12/17/971551217.db2.gz PFZXGIIPOJOHPM-HOTGVXAUSA-N 2 1 353.532 1.692 20 10 FDCDMP C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700498 971551224 /nfs/dbraw/zinc/55/12/24/971551224.db2.gz PFZXGIIPOJOHPM-HOTGVXAUSA-N 2 1 353.532 1.692 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4nc(N)ns4)CC3)cc2)CC1 ZINC000775736952 971840762 /nfs/dbraw/zinc/84/07/62/971840762.db2.gz HTUNJZPEQGDIIB-UHFFFAOYSA-N 2 1 373.530 1.194 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC000825819090 992063498 /nfs/dbraw/zinc/06/34/98/992063498.db2.gz QYWSAUIACPODNT-VQIMIIECSA-N 2 1 360.502 1.274 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC000825819090 992063509 /nfs/dbraw/zinc/06/35/09/992063509.db2.gz QYWSAUIACPODNT-VQIMIIECSA-N 2 1 360.502 1.274 20 10 FDCDMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889661341 998511372 /nfs/dbraw/zinc/51/13/72/998511372.db2.gz XRVKOSLQEOYZLB-IBGZPJMESA-N 2 1 359.518 1.674 20 10 FDCDMP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278907784 537342625 /nfs/dbraw/zinc/34/26/25/537342625.db2.gz SCGQPJFFTNTREH-CQSZACIVSA-N 2 1 366.462 1.672 20 10 FDCDMP COc1ccc(O)c(C[NH2+]Cc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)c1 ZINC000368402369 537979678 /nfs/dbraw/zinc/97/96/78/537979678.db2.gz KSGGVZCKXVYJLA-UHFFFAOYSA-N 2 1 373.501 1.874 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000891248175 774101721 /nfs/dbraw/zinc/10/17/21/774101721.db2.gz WNIOHLFRAMKKHW-QUCCMNQESA-N 2 1 362.518 1.318 20 10 FDCDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1C ZINC001022275749 779080968 /nfs/dbraw/zinc/08/09/68/779080968.db2.gz RQEFHFHTPDHLBG-VYCZESIESA-N 2 1 361.486 1.460 20 10 FDCDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1C ZINC001022275749 779080974 /nfs/dbraw/zinc/08/09/74/779080974.db2.gz RQEFHFHTPDHLBG-VYCZESIESA-N 2 1 361.486 1.460 20 10 FDCDMP C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC000896443774 824416752 /nfs/dbraw/zinc/41/67/52/824416752.db2.gz CIGYFAJLFSQXFH-HDICACEKSA-N 2 1 357.502 1.141 20 10 FDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2[NH2+]CCOc3ccccc32)cc1 ZINC000911667191 858879468 /nfs/dbraw/zinc/87/94/68/858879468.db2.gz OTJDINZMEXZLJI-PKOBYXMFSA-N 2 1 354.454 1.592 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000846227486 950746205 /nfs/dbraw/zinc/74/62/05/950746205.db2.gz SUAQBRUIZMPAGI-RLLQIKCJSA-N 2 1 374.529 1.730 20 10 FDCDMP COc1c(O)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000774879345 963953762 /nfs/dbraw/zinc/95/37/62/963953762.db2.gz AGCAXXSTILRBBQ-UHFFFAOYSA-N 2 1 353.419 1.852 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@]34CCC[NH2+]C4)CC2)cc1 ZINC000848415832 976723540 /nfs/dbraw/zinc/72/35/40/976723540.db2.gz QMRCZUOIVUBDPR-CTNGQTDRSA-N 2 1 372.513 1.323 20 10 FDCDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883514715 982233044 /nfs/dbraw/zinc/23/30/44/982233044.db2.gz OYWRAIKGPULZEM-UZLBHIALSA-N 2 1 371.529 1.720 20 10 FDCDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877022108 993015589 /nfs/dbraw/zinc/01/55/89/993015589.db2.gz PCCRQWKNZBYUGH-SFHVURJKSA-N 2 1 374.529 1.325 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000269442966 999468060 /nfs/dbraw/zinc/46/80/60/999468060.db2.gz QWKHVDGNQABKKD-FQEVSTJZSA-N 2 1 360.502 1.323 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000287094669 537439347 /nfs/dbraw/zinc/43/93/47/537439347.db2.gz DCZWPKVLXGVLIH-INIZCTEOSA-N 2 1 363.506 1.067 20 10 FDCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272379985 814676458 /nfs/dbraw/zinc/67/64/58/814676458.db2.gz FNAUDOMSMKRFBD-VMSUTVGLSA-N 2 1 361.486 1.986 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)[NH+](C)C)cc1 ZINC000899095362 845756422 /nfs/dbraw/zinc/75/64/22/845756422.db2.gz IGBFVQXJTPSUMP-HFSMHLIXSA-N 2 1 373.545 1.948 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[NH+](C)C)cc1 ZINC000899095689 845756468 /nfs/dbraw/zinc/75/64/68/845756468.db2.gz LBWQHQSTOUAPEM-SCTDSRPQSA-N 2 1 359.518 1.558 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)CC[N@H+]2CC[C@H](F)C2)[NH+](C)C)cc1 ZINC001180178559 965127630 /nfs/dbraw/zinc/12/76/30/965127630.db2.gz CQAHYEVFDZVMBD-WMZOPIPTSA-N 2 1 350.482 1.905 20 10 FDCDMP C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000883600701 982297841 /nfs/dbraw/zinc/29/78/41/982297841.db2.gz IIEOAZWGGMKJQY-KRWDZBQOSA-N 2 1 371.529 1.888 20 10 FDCDMP COc1c([O-])c(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000282847394 537339207 /nfs/dbraw/zinc/33/92/07/537339207.db2.gz DEMDXWQKJPMVSX-CQSZACIVSA-N 2 1 365.430 1.853 20 10 FDCDMP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1OC ZINC000892792454 791241466 /nfs/dbraw/zinc/24/14/66/791241466.db2.gz GGIORSVWFPRHAQ-HNNXBMFYSA-N 2 1 365.474 1.442 20 10 FDCDMP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1OC ZINC000892792454 791241480 /nfs/dbraw/zinc/24/14/80/791241480.db2.gz GGIORSVWFPRHAQ-HNNXBMFYSA-N 2 1 365.474 1.442 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)cc2)CC1 ZINC000896445077 824418195 /nfs/dbraw/zinc/41/81/95/824418195.db2.gz REAXFTRNJLLMIW-UXHICEINSA-N 2 1 371.529 1.817 20 10 FDCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841955248 840213293 /nfs/dbraw/zinc/21/32/93/840213293.db2.gz XHIWBBJZZBHAGP-IBGZPJMESA-N 2 1 361.534 1.869 20 10 FDCDMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000923376454 889046397 /nfs/dbraw/zinc/04/63/97/889046397.db2.gz XUZGVDSNZDNPKR-IBGZPJMESA-N 2 1 356.474 1.411 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(CN4CCOCC4)CC3)cc2)CC1 ZINC000775652848 970937030 /nfs/dbraw/zinc/93/70/30/970937030.db2.gz WBRZJJFLVPETBA-UHFFFAOYSA-N 2 1 372.557 1.983 20 10 FDCDMP CCN1CCN(c2ccc(C[NH2+][C@H](CCC[NH3+])COC)cc2F)CC1 ZINC000817901269 943070819 /nfs/dbraw/zinc/07/08/19/943070819.db2.gz AITWJQHQNXOZDJ-QGZVFWFLSA-N 2 1 352.498 1.811 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+](C)C3CCC([NH3+])CC3)CC2)cc1 ZINC000844220731 947850637 /nfs/dbraw/zinc/85/06/37/947850637.db2.gz LPJOJYDUEKHHEM-UHFFFAOYSA-N 2 1 360.502 1.546 20 10 FDCDMP CCN1CCN(C(=O)[C@@H](C)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844398870 948027533 /nfs/dbraw/zinc/02/75/33/948027533.db2.gz DHWSPDKNUZWTOL-QGZVFWFLSA-N 2 1 362.518 1.616 20 10 FDCDMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000854231817 968701941 /nfs/dbraw/zinc/70/19/41/968701941.db2.gz NGHIPXCNGNGMIU-LBPRGKRZSA-N 2 1 361.421 1.467 20 10 FDCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775643609 970747766 /nfs/dbraw/zinc/74/77/66/970747766.db2.gz SOMAGOYKZODNEX-LJQANCHMSA-N 2 1 365.543 1.838 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000883135936 981971487 /nfs/dbraw/zinc/97/14/87/981971487.db2.gz QEXMFOCNWBTSBY-GOSISDBHSA-N 2 1 371.529 1.722 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C[C@@H]4CCCO4)nn3)cc2)CC1 ZINC000883282890 982044024 /nfs/dbraw/zinc/04/40/24/982044024.db2.gz JTHHCKDDRABCBF-FQEVSTJZSA-N 2 1 370.501 1.499 20 10 FDCDMP COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)C1 ZINC000877715677 993468940 /nfs/dbraw/zinc/46/89/40/993468940.db2.gz ZZXKAHOWLBCCTL-HXUWFJFHSA-N 2 1 372.469 1.332 20 10 FDCDMP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665737 998514723 /nfs/dbraw/zinc/51/47/23/998514723.db2.gz WGAZVXJUDRORAO-UHFFFAOYSA-N 2 1 359.518 1.674 20 10 FDCDMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923381162 889058813 /nfs/dbraw/zinc/05/88/13/889058813.db2.gz RRQAZZAPKOGRMW-ICSRJNTNSA-N 2 1 371.529 1.781 20 10 FDCDMP COc1cccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1O ZINC000820080576 943883163 /nfs/dbraw/zinc/88/31/63/943883163.db2.gz DMMBMOOLSBDTNC-AWEZNQCLSA-N 2 1 352.479 1.472 20 10 FDCDMP COc1cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1O ZINC000820080576 943883166 /nfs/dbraw/zinc/88/31/66/943883166.db2.gz DMMBMOOLSBDTNC-AWEZNQCLSA-N 2 1 352.479 1.472 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)cc2)CC1 ZINC000775719745 971709695 /nfs/dbraw/zinc/70/96/95/971709695.db2.gz YBXDONCEVLSRFK-FQEVSTJZSA-N 2 1 358.530 1.593 20 10 FDCDMP COc1c[nH+]ccc1N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000794704318 973670172 /nfs/dbraw/zinc/67/01/72/973670172.db2.gz GDNSIECZZDMPIV-KRWDZBQOSA-N 2 1 357.410 1.544 20 10 FDCDMP C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[NH+]1CCSCC1 ZINC000881852203 980215272 /nfs/dbraw/zinc/21/52/72/980215272.db2.gz IMXIYQZQKZUEAL-MRXNPFEDSA-N 2 1 362.543 1.492 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000883149183 981980894 /nfs/dbraw/zinc/98/08/94/981980894.db2.gz UADWGVDNTNJCQB-UXHICEINSA-N 2 1 371.529 1.864 20 10 FDCDMP COc1ccc(N2CCN(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000925509598 995634403 /nfs/dbraw/zinc/63/44/03/995634403.db2.gz YJNXGLLFQYYMIB-WPCMGHOJSA-N 2 1 356.514 1.403 20 10 FDCDMP C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)C2)C1 ZINC000889663405 998513162 /nfs/dbraw/zinc/51/31/62/998513162.db2.gz QIJXQSYBTXNUQN-OAQYLSRUSA-N 2 1 371.529 1.676 20 10 FDCDMP Cc1[nH+]ccn1CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892572858 787373474 /nfs/dbraw/zinc/37/34/74/787373474.db2.gz LLXQCHMHNOLPSJ-GOSISDBHSA-N 2 1 358.490 1.860 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000893018956 792494839 /nfs/dbraw/zinc/49/48/39/792494839.db2.gz OHNBMTNGMLTCAC-QFBILLFUSA-N 2 1 359.518 1.891 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000729510240 820087466 /nfs/dbraw/zinc/08/74/66/820087466.db2.gz KKCMBWHHZXJXGE-QGZVFWFLSA-N 2 1 360.502 1.275 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCC[N@@H+](C)C3)cc2)CC1 ZINC000896445131 824418800 /nfs/dbraw/zinc/41/88/00/824418800.db2.gz RRFYZBWMEPGQIO-IBGZPJMESA-N 2 1 373.545 1.970 20 10 FDCDMP C[NH+]1CCC[C@H]1C(=O)Nc1ccc(O)c(CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000923123717 888098579 /nfs/dbraw/zinc/09/85/79/888098579.db2.gz ZNGRXSZYGDPADV-CVEARBPZSA-N 2 1 360.458 1.135 20 10 FDCDMP C[NH+]1CCC[C@@H]1C(=O)NCc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1O ZINC000923123717 888098595 /nfs/dbraw/zinc/09/85/95/888098595.db2.gz ZNGRXSZYGDPADV-CVEARBPZSA-N 2 1 360.458 1.135 20 10 FDCDMP C[NH+]1CCC[C@@H]1C(=O)NCc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)ccc1O ZINC000923123717 888098612 /nfs/dbraw/zinc/09/86/12/888098612.db2.gz ZNGRXSZYGDPADV-CVEARBPZSA-N 2 1 360.458 1.135 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000731893441 918756590 /nfs/dbraw/zinc/75/65/90/918756590.db2.gz KXZAUFGUURQXSE-FQEVSTJZSA-N 2 1 374.529 1.808 20 10 FDCDMP COc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000820080816 943882317 /nfs/dbraw/zinc/88/23/17/943882317.db2.gz LNIVVNBBHXBDIN-AWEZNQCLSA-N 2 1 352.479 1.472 20 10 FDCDMP COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000820080816 943882327 /nfs/dbraw/zinc/88/23/27/943882327.db2.gz LNIVVNBBHXBDIN-AWEZNQCLSA-N 2 1 352.479 1.472 20 10 FDCDMP Cc1nc(CN2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)no1 ZINC000775685419 971392497 /nfs/dbraw/zinc/39/24/97/971392497.db2.gz LLAKBXYQWUGKLN-UHFFFAOYSA-N 2 1 370.501 1.448 20 10 FDCDMP CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cc2F)CC1 ZINC000874440193 990282057 /nfs/dbraw/zinc/28/20/57/990282057.db2.gz ZJWFMFRMTJBTBH-QGZVFWFLSA-N 2 1 362.493 1.926 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]([NH3+])CCSC)CC2)cc1 ZINC000272516958 674453008 /nfs/dbraw/zinc/45/30/08/674453008.db2.gz YQHOQZGSLINJBM-QGZVFWFLSA-N 2 1 366.531 1.014 20 10 FDCDMP COc1c(O)c(C[N@H+](C)CCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000289247161 676110169 /nfs/dbraw/zinc/11/01/69/676110169.db2.gz ASDVMPXJOLBTCN-UHFFFAOYSA-N 2 1 354.451 1.624 20 10 FDCDMP COc1c(O)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000289247161 676110170 /nfs/dbraw/zinc/11/01/70/676110170.db2.gz ASDVMPXJOLBTCN-UHFFFAOYSA-N 2 1 354.451 1.624 20 10 FDCDMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1OC ZINC000892152341 781799371 /nfs/dbraw/zinc/79/93/71/781799371.db2.gz GSWVPSVSDQLSQY-DOTOQJQBSA-N 2 1 363.502 1.867 20 10 FDCDMP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1OC ZINC000892792455 791241018 /nfs/dbraw/zinc/24/10/18/791241018.db2.gz GGIORSVWFPRHAQ-OAHLLOKOSA-N 2 1 365.474 1.442 20 10 FDCDMP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1OC ZINC000892792455 791241026 /nfs/dbraw/zinc/24/10/26/791241026.db2.gz GGIORSVWFPRHAQ-OAHLLOKOSA-N 2 1 365.474 1.442 20 10 FDCDMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCCc1cc(O)c(O)cc1O ZINC001168006881 820392886 /nfs/dbraw/zinc/39/28/86/820392886.db2.gz WMAYUBMZUFIECM-UHFFFAOYSA-N 2 1 373.457 1.732 20 10 FDCDMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000918851968 884969042 /nfs/dbraw/zinc/96/90/42/884969042.db2.gz FFKIKXZGYSXUPX-GOSISDBHSA-N 2 1 367.497 1.822 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C(=O)N4CCCC4)C3)cc2)CC1 ZINC000809770961 940892831 /nfs/dbraw/zinc/89/28/31/940892831.db2.gz BWRAXQCBFISEIU-LJQANCHMSA-N 2 1 356.514 1.883 20 10 FDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000844162910 947841452 /nfs/dbraw/zinc/84/14/52/947841452.db2.gz ORPQBTNZFKBFFS-VQTJNVASSA-N 2 1 367.497 1.928 20 10 FDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1 ZINC000844162910 947841465 /nfs/dbraw/zinc/84/14/65/947841465.db2.gz ORPQBTNZFKBFFS-VQTJNVASSA-N 2 1 367.497 1.928 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)cc1 ZINC000846674632 951440010 /nfs/dbraw/zinc/44/00/10/951440010.db2.gz RCQBACUQKQIYKZ-QFBILLFUSA-N 2 1 360.502 1.451 20 10 FDCDMP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883263719 982036352 /nfs/dbraw/zinc/03/63/52/982036352.db2.gz DARXPBATJOTDGJ-UHFFFAOYSA-N 2 1 356.474 1.443 20 10 FDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000876506165 992672355 /nfs/dbraw/zinc/67/23/55/992672355.db2.gz GJRZBBGKHHXXBS-UXHICEINSA-N 2 1 369.513 1.328 20 10 FDCDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925053937 995265073 /nfs/dbraw/zinc/26/50/73/995265073.db2.gz AQOIRNSZJYGQRU-JJTKIYQPSA-N 2 1 363.527 1.351 20 10 FDCDMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889661342 998511490 /nfs/dbraw/zinc/51/14/90/998511490.db2.gz XRVKOSLQEOYZLB-LJQANCHMSA-N 2 1 359.518 1.674 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CCC3CC[NH2+]CC3)CC2)cc1 ZINC000270866049 999627143 /nfs/dbraw/zinc/62/71/43/999627143.db2.gz FMORJFXGUZNGII-UHFFFAOYSA-N 2 1 374.529 1.713 20 10 FDCDMP COc1ccc(N2CCN(C(=O)CN3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)CC2)cc1 ZINC000931426986 1004148073 /nfs/dbraw/zinc/14/80/73/1004148073.db2.gz ORRDLTPJNHMZOF-ZWKOTPCHSA-N 2 1 372.513 1.227 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)CC2)cc1 ZINC000931426986 1004148084 /nfs/dbraw/zinc/14/80/84/1004148084.db2.gz ORRDLTPJNHMZOF-ZWKOTPCHSA-N 2 1 372.513 1.227 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)CC2)cc1 ZINC000931426986 1004148091 /nfs/dbraw/zinc/14/80/91/1004148091.db2.gz ORRDLTPJNHMZOF-ZWKOTPCHSA-N 2 1 372.513 1.227 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)CC2)cc1 ZINC000931426986 1004148098 /nfs/dbraw/zinc/14/80/98/1004148098.db2.gz ORRDLTPJNHMZOF-ZWKOTPCHSA-N 2 1 372.513 1.227 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)CC2)cc1 ZINC000931426986 1004148101 /nfs/dbraw/zinc/14/81/01/1004148101.db2.gz ORRDLTPJNHMZOF-ZWKOTPCHSA-N 2 1 372.513 1.227 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000075937869 522996267 /nfs/dbraw/zinc/99/62/67/522996267.db2.gz XLOKLJUFGFEUHE-UHFFFAOYSA-N 2 1 374.529 1.413 20 10 FDCDMP C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000891254271 774150323 /nfs/dbraw/zinc/15/03/23/774150323.db2.gz XZVWZHIWDJXBSV-QFBILLFUSA-N 2 1 361.534 1.107 20 10 FDCDMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896443764 824416847 /nfs/dbraw/zinc/41/68/47/824416847.db2.gz BYHWVSHDGVNOCY-QGZVFWFLSA-N 2 1 359.518 1.722 20 10 FDCDMP C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700499 971550746 /nfs/dbraw/zinc/55/07/46/971550746.db2.gz PFZXGIIPOJOHPM-HZPDHXFCSA-N 2 1 353.532 1.692 20 10 FDCDMP C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700499 971550748 /nfs/dbraw/zinc/55/07/48/971550748.db2.gz PFZXGIIPOJOHPM-HZPDHXFCSA-N 2 1 353.532 1.692 20 10 FDCDMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000290094032 537669596 /nfs/dbraw/zinc/66/95/96/537669596.db2.gz JNKHAAALQPIIRM-OALUTQOASA-N 2 1 360.502 1.322 20 10 FDCDMP C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[NH+]1CCSCC1 ZINC000891251993 774124121 /nfs/dbraw/zinc/12/41/21/774124121.db2.gz JFZWSGICUAWDGM-QAPCUYQASA-N 2 1 364.559 1.909 20 10 FDCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[N@H+]1C ZINC000765978163 874034900 /nfs/dbraw/zinc/03/49/00/874034900.db2.gz LXHFSJPBLDTFIP-WBVHZDCISA-N 2 1 351.516 1.494 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)CC2)cc1 ZINC000923501311 889519845 /nfs/dbraw/zinc/51/98/45/889519845.db2.gz QFYKOTGPLFNAEX-IRXDYDNUSA-N 2 1 360.502 1.261 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](N4CCNC4=O)C3)cc2)CC1 ZINC000775658092 971002961 /nfs/dbraw/zinc/00/29/61/971002961.db2.gz LWVRSDZLIAOELC-IBGZPJMESA-N 2 1 357.502 1.428 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000846225033 950735947 /nfs/dbraw/zinc/73/59/47/950735947.db2.gz IUQAEVMUXZNWLM-BJLQDIEVSA-N 2 1 374.529 1.587 20 10 FDCDMP COc1c(O)c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000774960611 964245225 /nfs/dbraw/zinc/24/52/25/964245225.db2.gz CQAJNLXEZREJJW-UHFFFAOYSA-N 2 1 352.435 1.425 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)CC[N@H+]2CC[C@@H](F)C2)[NH+](C)C)cc1 ZINC001180178558 965128229 /nfs/dbraw/zinc/12/82/29/965128229.db2.gz CQAHYEVFDZVMBD-SJLPKXTDSA-N 2 1 350.482 1.905 20 10 FDCDMP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000866709967 975940829 /nfs/dbraw/zinc/94/08/29/975940829.db2.gz UTAPRDYGPDXIEV-BMFZPTHFSA-N 2 1 363.389 1.101 20 10 FDCDMP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000866709967 975940832 /nfs/dbraw/zinc/94/08/32/975940832.db2.gz UTAPRDYGPDXIEV-BMFZPTHFSA-N 2 1 363.389 1.101 20 10 FDCDMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1(C)C ZINC000858135929 981853394 /nfs/dbraw/zinc/85/33/94/981853394.db2.gz HRHUKGKOVKYDEZ-KRWDZBQOSA-N 2 1 365.543 1.884 20 10 FDCDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1(C)C ZINC000858135929 981853399 /nfs/dbraw/zinc/85/33/99/981853399.db2.gz HRHUKGKOVKYDEZ-KRWDZBQOSA-N 2 1 365.543 1.884 20 10 FDCDMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[N@H+]1C1CC1 ZINC000883505239 982225367 /nfs/dbraw/zinc/22/53/67/982225367.db2.gz YVZTTWZWVPGTNW-AEFFLSMTSA-N 2 1 371.529 1.863 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)/C=C/[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000876782860 992911131 /nfs/dbraw/zinc/91/11/31/992911131.db2.gz WCVOJHRDMUZLMN-URPWPPKMSA-N 2 1 372.513 1.489 20 10 FDCDMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268888975 674103039 /nfs/dbraw/zinc/10/30/39/674103039.db2.gz ZLSRRMAZWBDYRU-DOTOQJQBSA-N 2 1 351.466 1.770 20 10 FDCDMP COc1ccc(O)c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000180073969 525658259 /nfs/dbraw/zinc/65/82/59/525658259.db2.gz BELYVDRCLJSMJS-UHFFFAOYSA-N 2 1 361.486 1.777 20 10 FDCDMP COc1c(O)c(C[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000278520083 675148194 /nfs/dbraw/zinc/14/81/94/675148194.db2.gz RTYFVMFABHELJN-UHFFFAOYSA-N 2 1 352.435 1.425 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)C[N@@H+](C)[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000891254625 774147477 /nfs/dbraw/zinc/14/74/77/774147477.db2.gz ZNOFHCLVTHWLPQ-ZWKOTPCHSA-N 2 1 364.559 1.909 20 10 FDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2[NH2+]CCOc3ccccc32)cc1 ZINC000911667183 858879921 /nfs/dbraw/zinc/87/99/21/858879921.db2.gz OTJDINZMEXZLJI-HKUYNNGSSA-N 2 1 354.454 1.592 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4ncc(F)cn4)CC3)cc2)CC1 ZINC000761227273 864457956 /nfs/dbraw/zinc/45/79/56/864457956.db2.gz YSOKYWYLNKYPDB-UHFFFAOYSA-N 2 1 370.476 1.690 20 10 FDCDMP C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809700651 940879919 /nfs/dbraw/zinc/87/99/19/940879919.db2.gz LGKDDRNEGYCBHD-RXVVDRJESA-N 2 1 358.530 1.733 20 10 FDCDMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[C@H]1[NH3+] ZINC000844222284 947855124 /nfs/dbraw/zinc/85/51/24/947855124.db2.gz CIHJWJPRGPLJMH-VQIMIIECSA-N 2 1 360.502 1.403 20 10 FDCDMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[C@H]1[NH3+] ZINC000844222284 947855130 /nfs/dbraw/zinc/85/51/30/947855130.db2.gz CIHJWJPRGPLJMH-VQIMIIECSA-N 2 1 360.502 1.403 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)CCCC[NH+]3CCOCC3)cc2)CC1 ZINC000881854214 980219105 /nfs/dbraw/zinc/21/91/05/980219105.db2.gz XITXHQLZGMAANT-UHFFFAOYSA-N 2 1 374.529 1.557 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883133930 981970558 /nfs/dbraw/zinc/97/05/58/981970558.db2.gz KZLLKQPYFWKTCK-ICSRJNTNSA-N 2 1 371.529 1.864 20 10 FDCDMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[N@H+]1C1CC1 ZINC000883505241 982225218 /nfs/dbraw/zinc/22/52/18/982225218.db2.gz YVZTTWZWVPGTNW-SJLPKXTDSA-N 2 1 371.529 1.863 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNc3nc(N4CC[NH2+]CC4)cc[nH+]3)cc2)CC1 ZINC001167423262 774570149 /nfs/dbraw/zinc/57/01/49/774570149.db2.gz TWOIBHHLDJKEKV-UHFFFAOYSA-N 3 1 367.501 1.250 20 10 FDCDMP COc1ccc(Br)c(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205690636 970764154 /nfs/dbraw/zinc/76/41/54/970764154.db2.gz WLDUOJWYLZWGSQ-OAHLLOKOSA-N 2 1 359.264 1.839 20 10 FDCDMP COc1ccc(Br)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205690636 970764164 /nfs/dbraw/zinc/76/41/64/970764164.db2.gz WLDUOJWYLZWGSQ-OAHLLOKOSA-N 2 1 359.264 1.839 20 10 FDCDMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923381166 889059256 /nfs/dbraw/zinc/05/92/56/889059256.db2.gz RRQAZZAPKOGRMW-UYAOXDASSA-N 2 1 371.529 1.781 20 10 FDCDMP C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001178156958 964119122 /nfs/dbraw/zinc/11/91/22/964119122.db2.gz NSBKXLJWNSFGQS-WBVHZDCISA-N 2 1 351.466 1.861 20 10 FDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OC ZINC000371357860 990379540 /nfs/dbraw/zinc/37/95/40/990379540.db2.gz RULXNBOKGSMFAF-DOTOQJQBSA-N 2 1 363.502 1.867 20 10 FDCDMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889663659 998513569 /nfs/dbraw/zinc/51/35/69/998513569.db2.gz TWBTVUZNVWDXOQ-SFHVURJKSA-N 2 1 359.518 1.674 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000269442968 999468695 /nfs/dbraw/zinc/46/86/95/999468695.db2.gz QWKHVDGNQABKKD-HXUWFJFHSA-N 2 1 360.502 1.323 20 10 FDCDMP COc1cc(O)c(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1OC ZINC000289460448 676139699 /nfs/dbraw/zinc/13/96/99/676139699.db2.gz OIXXEUJEXFWAHV-UHFFFAOYSA-N 2 1 351.491 1.867 20 10 FDCDMP C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[NH+]1CCSCC1 ZINC000891251994 774124209 /nfs/dbraw/zinc/12/42/09/774124209.db2.gz JFZWSGICUAWDGM-YJBOKZPZSA-N 2 1 364.559 1.909 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000893018955 792494737 /nfs/dbraw/zinc/49/47/37/792494737.db2.gz OHNBMTNGMLTCAC-LPHOPBHVSA-N 2 1 359.518 1.891 20 10 FDCDMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923381164 889058190 /nfs/dbraw/zinc/05/81/90/889058190.db2.gz RRQAZZAPKOGRMW-QUCCMNQESA-N 2 1 371.529 1.781 20 10 FDCDMP COc1ccc(Br)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205240843 909566426 /nfs/dbraw/zinc/56/64/26/909566426.db2.gz OQCLZYNKEWRQAC-HNNXBMFYSA-N 2 1 359.264 1.839 20 10 FDCDMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2F)CC1 ZINC000817902513 943071216 /nfs/dbraw/zinc/07/12/16/943071216.db2.gz SAOSZBUIVZIHFJ-KVSKMBFKSA-N 2 1 364.509 1.810 20 10 FDCDMP CCN1CCN(C(=O)[C@H](C)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844398866 948028101 /nfs/dbraw/zinc/02/81/01/948028101.db2.gz DHWSPDKNUZWTOL-KRWDZBQOSA-N 2 1 362.518 1.616 20 10 FDCDMP COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716000 971688225 /nfs/dbraw/zinc/68/82/25/971688225.db2.gz OIUNKCPJGZKSNU-GOSISDBHSA-N 2 1 363.527 1.919 20 10 FDCDMP CCN(CC)c1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1F ZINC001177718715 963947689 /nfs/dbraw/zinc/94/76/89/963947689.db2.gz IOJCFFWJKNDJDY-UHFFFAOYSA-N 2 1 350.482 1.926 20 10 FDCDMP CN1CCN(c2ccc(C[NH2+][C@H]3CCN(C4CC[NH+](C)CC4)C3)cc2)CC1 ZINC001177791470 963972037 /nfs/dbraw/zinc/97/20/37/963972037.db2.gz ZBGGHVJKPDYFSW-FQEVSTJZSA-N 2 1 371.573 1.697 20 10 FDCDMP CN1CCN(c2ccc(C[NH2+]CCN3CCC([NH+](C)C)CC3)cc2)CC1 ZINC001200921497 974929210 /nfs/dbraw/zinc/92/92/10/974929210.db2.gz HMJNMQUZZODFPQ-UHFFFAOYSA-N 2 1 359.562 1.554 20 10 FDCDMP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000866709968 975940402 /nfs/dbraw/zinc/94/04/02/975940402.db2.gz UTAPRDYGPDXIEV-IMJJTQAJSA-N 2 1 363.389 1.101 20 10 FDCDMP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000866709968 975940406 /nfs/dbraw/zinc/94/04/06/975940406.db2.gz UTAPRDYGPDXIEV-IMJJTQAJSA-N 2 1 363.389 1.101 20 10 FDCDMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883702239 982395621 /nfs/dbraw/zinc/39/56/21/982395621.db2.gz HUFVFZGMBQLAMJ-QGZVFWFLSA-N 2 1 361.534 1.966 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)/C=C/[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000876782857 992910981 /nfs/dbraw/zinc/91/09/81/992910981.db2.gz WCVOJHRDMUZLMN-CHHNCHTKSA-N 2 1 372.513 1.489 20 10 FDCDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924731754 994957453 /nfs/dbraw/zinc/95/74/53/994957453.db2.gz ZNTRCHRIQZJISR-JTUYAUNFSA-N 2 1 356.514 1.818 20 10 FDCDMP COc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(O)c1OC ZINC000892937612 791783333 /nfs/dbraw/zinc/78/33/33/791783333.db2.gz FDUDNUPRUXHPSV-UHFFFAOYSA-N 2 1 351.491 1.773 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC[C@H]3CC[NH3+])CC2)cc1 ZINC000844224977 947858533 /nfs/dbraw/zinc/85/85/33/947858533.db2.gz WZZIJWLCKYAQDS-KRWDZBQOSA-N 2 1 360.502 1.547 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCCC[C@H]3CC[NH3+])CC2)cc1 ZINC000844224977 947858537 /nfs/dbraw/zinc/85/85/37/947858537.db2.gz WZZIJWLCKYAQDS-KRWDZBQOSA-N 2 1 360.502 1.547 20 10 FDCDMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000848557575 976902267 /nfs/dbraw/zinc/90/22/67/976902267.db2.gz FVNVQPSHYUKCJM-UHFFFAOYSA-N 2 1 351.466 1.599 20 10 FDCDMP COc1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850120396 978176014 /nfs/dbraw/zinc/17/60/14/978176014.db2.gz PDLRUHBRYAEBCN-UHFFFAOYSA-N 2 1 363.502 1.952 20 10 FDCDMP CC[N@@H+](CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000883285451 982045079 /nfs/dbraw/zinc/04/50/79/982045079.db2.gz PXHFQISEZGAISS-UHFFFAOYSA-N 2 1 359.518 1.722 20 10 FDCDMP CC[N@@H+](CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000883289241 982047548 /nfs/dbraw/zinc/04/75/48/982047548.db2.gz ISFVCAXROXYMFB-UHFFFAOYSA-N 2 1 361.534 1.968 20 10 FDCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255873 987548686 /nfs/dbraw/zinc/54/86/86/987548686.db2.gz NIWZQYFFKKPOQM-NFAWXSAZSA-N 2 1 367.833 1.421 20 10 FDCDMP COc1c(O)c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278295238 537294556 /nfs/dbraw/zinc/29/45/56/537294556.db2.gz CBXWCRNEWSWGRX-ZDUSSCGKSA-N 2 1 352.435 1.425 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)N2CC[NH+](C3CC3)CC2)[NH+](C)C)cc1 ZINC000899103343 845775529 /nfs/dbraw/zinc/77/55/29/845775529.db2.gz ZRJCQUAUZDLVBE-LJQANCHMSA-N 2 1 359.518 1.845 20 10 FDCDMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+](C)Cc1ccccc1O ZINC000171937659 865403565 /nfs/dbraw/zinc/40/35/65/865403565.db2.gz ZBKNDMZNSPQHFQ-MRXNPFEDSA-N 2 1 354.454 1.956 20 10 FDCDMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N(C)Cc1ccccc1O ZINC000171937659 865403569 /nfs/dbraw/zinc/40/35/69/865403569.db2.gz ZBKNDMZNSPQHFQ-MRXNPFEDSA-N 2 1 354.454 1.956 20 10 FDCDMP COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000813330635 941366496 /nfs/dbraw/zinc/36/64/96/941366496.db2.gz BLUOWFRJSJAJCQ-CQSZACIVSA-N 2 1 357.458 1.793 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CC[NH2+]CC3(C)C)CC2)cc1 ZINC000844225947 947860459 /nfs/dbraw/zinc/86/04/59/947860459.db2.gz JFFIGKKEFTZCJQ-GOSISDBHSA-N 2 1 360.502 1.322 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)CC2)cc1 ZINC000844226855 947862539 /nfs/dbraw/zinc/86/25/39/947862539.db2.gz QWJNUIKSUYLGOV-IRXDYDNUSA-N 2 1 360.502 1.261 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)CC2)cc1 ZINC000844226855 947862563 /nfs/dbraw/zinc/86/25/63/947862563.db2.gz QWJNUIKSUYLGOV-IRXDYDNUSA-N 2 1 360.502 1.261 20 10 FDCDMP CN1CCN(C(C)(C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001199143147 973944119 /nfs/dbraw/zinc/94/41/19/973944119.db2.gz CXQHEOQARTZHNH-UHFFFAOYSA-N 2 1 359.562 1.554 20 10 FDCDMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883156729 981986615 /nfs/dbraw/zinc/98/66/15/981986615.db2.gz XJCGWSNUIMPANL-UHFFFAOYSA-N 2 1 370.501 1.833 20 10 FDCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254403 987545562 /nfs/dbraw/zinc/54/55/62/987545562.db2.gz CHMVFDXXFMTIDN-OTWHNJEPSA-N 2 1 358.486 1.900 20 10 FDCDMP COc1cccc(C[NH2+]Cc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)c1O ZINC000363534692 989276634 /nfs/dbraw/zinc/27/66/34/989276634.db2.gz NJUIPORSZHVFQF-UHFFFAOYSA-N 2 1 373.501 1.874 20 10 FDCDMP C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000878240384 993821822 /nfs/dbraw/zinc/82/18/22/993821822.db2.gz GTQIURWOKSRKGT-SFHVURJKSA-N 2 1 361.486 1.584 20 10 FDCDMP C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000878240384 993821831 /nfs/dbraw/zinc/82/18/31/993821831.db2.gz GTQIURWOKSRKGT-SFHVURJKSA-N 2 1 361.486 1.584 20 10 FDCDMP COc1cccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1O ZINC000093142822 524957218 /nfs/dbraw/zinc/95/72/18/524957218.db2.gz RLSAUPWQLLDZKF-UHFFFAOYSA-N 2 1 361.486 1.777 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCCn1cc[nH+]c1C)cc2=O ZINC000130753189 525792436 /nfs/dbraw/zinc/79/24/36/525792436.db2.gz UXQWGQGOZBIKPT-UHFFFAOYSA-N 2 1 372.429 1.639 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)CCCn1cc[nH+]c1C)cc2=O ZINC000130753189 525792444 /nfs/dbraw/zinc/79/24/44/525792444.db2.gz UXQWGQGOZBIKPT-UHFFFAOYSA-N 2 1 372.429 1.639 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]([NH3+])CCSC)CC2)cc1 ZINC000272516956 674453029 /nfs/dbraw/zinc/45/30/29/674453029.db2.gz YQHOQZGSLINJBM-KRWDZBQOSA-N 2 1 366.531 1.014 20 10 FDCDMP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000120350878 770091656 /nfs/dbraw/zinc/09/16/56/770091656.db2.gz JNUBMBGQZNLSDX-HXUWFJFHSA-N 2 1 356.514 1.929 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)C[N@@H+](C)[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000891254622 774147504 /nfs/dbraw/zinc/14/75/04/774147504.db2.gz ZNOFHCLVTHWLPQ-ROUUACIJSA-N 2 1 364.559 1.909 20 10 FDCDMP CC[N@@H+](CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000051688359 833519575 /nfs/dbraw/zinc/51/95/75/833519575.db2.gz KJPABKWSXXRURH-UHFFFAOYSA-N 2 1 374.529 1.808 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+](CC(N)=O)Cc3ccccc3)cc2)CC1 ZINC000775695330 971544987 /nfs/dbraw/zinc/54/49/87/971544987.db2.gz TXISGPWIQWNTHB-UHFFFAOYSA-N 2 1 352.482 1.926 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CC(N)=O)Cc3ccccc3)cc2)CC1 ZINC000775695330 971544992 /nfs/dbraw/zinc/54/49/92/971544992.db2.gz TXISGPWIQWNTHB-UHFFFAOYSA-N 2 1 352.482 1.926 20 10 FDCDMP CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001199721135 974476440 /nfs/dbraw/zinc/47/64/40/974476440.db2.gz FLIDPWCJGSIUJT-KRWDZBQOSA-N 2 1 353.482 1.701 20 10 FDCDMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000883456663 982162712 /nfs/dbraw/zinc/16/27/12/982162712.db2.gz FGQXUVLKZVFUSI-SJLPKXTDSA-N 2 1 359.518 1.720 20 10 FDCDMP COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1O ZINC000369852619 989241996 /nfs/dbraw/zinc/24/19/96/989241996.db2.gz RQOHBUZTNOZLHJ-OAHLLOKOSA-N 2 1 362.474 1.369 20 10 FDCDMP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000364144694 989501432 /nfs/dbraw/zinc/50/14/32/989501432.db2.gz WJFBVPFJLRTDRB-IAGOWNOFSA-N 2 1 360.477 1.726 20 10 FDCDMP NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)cc2)CC1 ZINC000925778949 995764908 /nfs/dbraw/zinc/76/49/08/995764908.db2.gz YKYJVIPMBSTNSJ-KRFUXDQASA-N 2 1 354.498 1.474 20 10 FDCDMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892572859 787373020 /nfs/dbraw/zinc/37/30/20/787373020.db2.gz LLXQCHMHNOLPSJ-SFHVURJKSA-N 2 1 358.490 1.860 20 10 FDCDMP C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)C[C@]2(C)C1 ZINC000896445138 824418655 /nfs/dbraw/zinc/41/86/55/824418655.db2.gz RTEPKWYIZWCMME-NQIIRXRSSA-N 2 1 371.529 1.532 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)[NH+](C)C)cc1 ZINC000899104174 845777289 /nfs/dbraw/zinc/77/72/89/845777289.db2.gz QHZVWPLADLCGET-IBGZPJMESA-N 2 1 359.518 1.916 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CC2)cc1 ZINC000848415839 976723023 /nfs/dbraw/zinc/72/30/23/976723023.db2.gz QMRCZUOIVUBDPR-TZIWHRDSSA-N 2 1 372.513 1.323 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[C@H]([NH3+])CC3)CC2)cc1 ZINC000870886335 986462662 /nfs/dbraw/zinc/46/26/62/986462662.db2.gz DWTOQMDMZMHOBL-QAQDUYKDSA-N 2 1 360.502 1.451 20 10 FDCDMP OC1CCN(c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000876546912 992696746 /nfs/dbraw/zinc/69/67/46/992696746.db2.gz ZVCOVBUCUZALDL-UHFFFAOYSA-N 2 1 372.557 1.861 20 10 FDCDMP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)cc2)C1 ZINC000925486592 995625268 /nfs/dbraw/zinc/62/52/68/995625268.db2.gz RUGIIHJNDQPKTL-IVPKFJTLSA-N 2 1 354.498 1.474 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C3([NH3+])CCCCC3)CC2)cc1 ZINC000269243958 999466179 /nfs/dbraw/zinc/46/61/79/999466179.db2.gz CTWBTQUGTLDMLT-UHFFFAOYSA-N 2 1 360.502 1.595 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000270643691 999591741 /nfs/dbraw/zinc/59/17/41/999591741.db2.gz HWDIWMXGLQFTNG-IBGZPJMESA-N 2 1 372.513 1.323 20 10 FDCDMP Cn1nccc1[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000897557870 839514728 /nfs/dbraw/zinc/51/47/28/839514728.db2.gz CEIVPSNAVDOPCR-HXUWFJFHSA-N 2 1 355.486 1.745 20 10 FDCDMP Cn1nccc1[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000897557870 839514733 /nfs/dbraw/zinc/51/47/33/839514733.db2.gz CEIVPSNAVDOPCR-HXUWFJFHSA-N 2 1 355.486 1.745 20 10 FDCDMP Oc1cc2c(cc1C[NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000702604388 884098665 /nfs/dbraw/zinc/09/86/65/884098665.db2.gz XLCRWZFUKZPGEQ-HXUWFJFHSA-N 2 1 356.422 1.848 20 10 FDCDMP Oc1cc2c(cc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000702604388 884098694 /nfs/dbraw/zinc/09/86/94/884098694.db2.gz XLCRWZFUKZPGEQ-HXUWFJFHSA-N 2 1 356.422 1.848 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](CC[NH3+])C3)CC2)cc1 ZINC000844223600 947857309 /nfs/dbraw/zinc/85/73/09/947857309.db2.gz ZWWBMNJSJHJKBE-KRWDZBQOSA-N 2 1 360.502 1.405 20 10 FDCDMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844400063 948029095 /nfs/dbraw/zinc/02/90/95/948029095.db2.gz URVUMHGBKQCRMH-UHFFFAOYSA-N 2 1 362.518 1.664 20 10 FDCDMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844400063 948029106 /nfs/dbraw/zinc/02/91/06/948029106.db2.gz URVUMHGBKQCRMH-UHFFFAOYSA-N 2 1 362.518 1.664 20 10 FDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000775712807 971660782 /nfs/dbraw/zinc/66/07/82/971660782.db2.gz IUKIYDUSMADCAQ-QGZVFWFLSA-N 2 1 351.516 1.305 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)CC2)cc1 ZINC000848415836 976723266 /nfs/dbraw/zinc/72/32/66/976723266.db2.gz QMRCZUOIVUBDPR-PZJWPPBQSA-N 2 1 372.513 1.323 20 10 FDCDMP C[C@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[N@@H+](C)C1CC1 ZINC000883332534 982076356 /nfs/dbraw/zinc/07/63/56/982076356.db2.gz XASZQSHITRKZQN-MRXNPFEDSA-N 2 1 359.518 1.720 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(C[NH3+])cc3)CC2)cc1 ZINC000273937184 999734508 /nfs/dbraw/zinc/73/45/08/999734508.db2.gz JFIMPXOZIZCNIA-UHFFFAOYSA-N 2 1 368.481 1.706 20 10 FDCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614853508 555127693 /nfs/dbraw/zinc/12/76/93/555127693.db2.gz XTUDYZPPMCYLFF-INIZCTEOSA-N 2 1 372.513 1.447 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)[NH+](C)C)cc1 ZINC000899095361 845756299 /nfs/dbraw/zinc/75/62/99/845756299.db2.gz IGBFVQXJTPSUMP-FBBABVLZSA-N 2 1 373.545 1.948 20 10 FDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000844223744 947855876 /nfs/dbraw/zinc/85/58/76/947855876.db2.gz BKHTXKYHHZAMPH-GOSISDBHSA-N 2 1 374.529 1.398 20 10 FDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000844223744 947855890 /nfs/dbraw/zinc/85/58/90/947855890.db2.gz BKHTXKYHHZAMPH-GOSISDBHSA-N 2 1 374.529 1.398 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)CC2)cc1 ZINC000844224132 947855998 /nfs/dbraw/zinc/85/59/98/947855998.db2.gz GEPKJUMPNLOOPZ-KURKYZTESA-N 2 1 374.529 1.649 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)CC2)cc1 ZINC000844224132 947856018 /nfs/dbraw/zinc/85/60/18/947856018.db2.gz GEPKJUMPNLOOPZ-KURKYZTESA-N 2 1 374.529 1.649 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000846227484 950745798 /nfs/dbraw/zinc/74/57/98/950745798.db2.gz SUAQBRUIZMPAGI-DFQSSKMNSA-N 2 1 374.529 1.730 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000775192725 966533758 /nfs/dbraw/zinc/53/37/58/966533758.db2.gz OMZMJUFZJZHIEX-IBGZPJMESA-N 2 1 365.543 1.838 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000775192725 966533766 /nfs/dbraw/zinc/53/37/66/966533766.db2.gz OMZMJUFZJZHIEX-IBGZPJMESA-N 2 1 365.543 1.838 20 10 FDCDMP OC1CCN(c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)CC1 ZINC000850568882 978440038 /nfs/dbraw/zinc/44/00/38/978440038.db2.gz MILJYYQAFMPZEC-FQEVSTJZSA-N 2 1 359.514 1.991 20 10 FDCDMP CCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883779010 982463748 /nfs/dbraw/zinc/46/37/48/982463748.db2.gz MQRLBQBGDOMMNS-GOSISDBHSA-N 2 1 359.518 1.722 20 10 FDCDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872255347 987547270 /nfs/dbraw/zinc/54/72/70/987547270.db2.gz CIEYCXDIYWLEDO-KPPNVPOGSA-N 2 1 356.470 1.633 20 10 FDCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255871 987548285 /nfs/dbraw/zinc/54/82/85/987548285.db2.gz NIWZQYFFKKPOQM-GUTXKFCHSA-N 2 1 367.833 1.421 20 10 FDCDMP COc1ccc(N2CCC([NH2+]CCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000370645311 989916220 /nfs/dbraw/zinc/91/62/20/989916220.db2.gz VFEIHKNMMUZAJD-UHFFFAOYSA-N 2 1 360.502 1.418 20 10 FDCDMP COc1c(O)c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000373910272 992515557 /nfs/dbraw/zinc/51/55/57/992515557.db2.gz IEAJJUOAAPSYPN-HNNXBMFYSA-N 2 1 364.446 1.521 20 10 FDCDMP COc1c([O-])c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000373910272 992515565 /nfs/dbraw/zinc/51/55/65/992515565.db2.gz IEAJJUOAAPSYPN-HNNXBMFYSA-N 2 1 364.446 1.521 20 10 FDCDMP COc1c(O)c(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278295231 537294771 /nfs/dbraw/zinc/29/47/71/537294771.db2.gz CBXWCRNEWSWGRX-CYBMUJFWSA-N 2 1 352.435 1.425 20 10 FDCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[N@H+]1C ZINC000765978160 874034625 /nfs/dbraw/zinc/03/46/25/874034625.db2.gz LXHFSJPBLDTFIP-RDJZCZTQSA-N 2 1 351.516 1.494 20 10 FDCDMP CC(C)NC(=O)CN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775644901 970768229 /nfs/dbraw/zinc/76/82/29/970768229.db2.gz WWXGNNORQDWUQQ-UHFFFAOYSA-N 2 1 373.545 1.081 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](n4cc(CO)nn4)C3)cc2)CC1 ZINC000816641780 942284521 /nfs/dbraw/zinc/28/45/21/942284521.db2.gz GIWXZSKFPGQGFF-FQEVSTJZSA-N 2 1 370.501 1.359 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@H+]3C(C)C)CC2)cc1 ZINC001182861961 962606080 /nfs/dbraw/zinc/60/60/80/962606080.db2.gz MITWUCJERDVUMQ-FQEVSTJZSA-N 2 1 374.529 1.806 20 10 FDCDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000881853179 980217333 /nfs/dbraw/zinc/21/73/33/980217333.db2.gz MMGSHOUHDHLQEU-GOSISDBHSA-N 2 1 367.497 1.822 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNc3nc(N4CCOCC4)cc[nH+]3)cc2)CC1 ZINC000882880495 981770746 /nfs/dbraw/zinc/77/07/46/981770746.db2.gz VTESWHDBMSNQRE-UHFFFAOYSA-N 2 1 368.485 1.677 20 10 FDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000876506164 992672647 /nfs/dbraw/zinc/67/26/47/992672647.db2.gz GJRZBBGKHHXXBS-PMACEKPBSA-N 2 1 369.513 1.328 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)cc2)CC1 ZINC000877790745 993515623 /nfs/dbraw/zinc/51/56/23/993515623.db2.gz GRHYXJKMVZFBIW-MSOLQXFVSA-N 2 1 363.527 1.305 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)cc2)CC1 ZINC000877790745 993515629 /nfs/dbraw/zinc/51/56/29/993515629.db2.gz GRHYXJKMVZFBIW-MSOLQXFVSA-N 2 1 363.527 1.305 20 10 FDCDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000185341113 536205966 /nfs/dbraw/zinc/20/59/66/536205966.db2.gz ZEJKBARYSYTTMK-GFCCVEGCSA-N 2 1 370.291 1.969 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000292053067 537702626 /nfs/dbraw/zinc/70/26/26/537702626.db2.gz JIQVEYOBXHVODN-QGZVFWFLSA-N 2 1 360.502 1.466 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4C)cc2)CC1 ZINC000896445083 824418102 /nfs/dbraw/zinc/41/81/02/824418102.db2.gz REAXFTRNJLLMIW-WOJBJXKFSA-N 2 1 371.529 1.817 20 10 FDCDMP COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3c[nH+]ccc3N)CC2)cc1 ZINC000817895342 943068130 /nfs/dbraw/zinc/06/81/30/943068130.db2.gz TXZFQJZEEOLDNQ-INIZCTEOSA-N 2 1 355.486 1.976 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3CN3CCOCC3)cc2)CC1 ZINC000775659842 970994669 /nfs/dbraw/zinc/99/46/69/970994669.db2.gz PJFGHRVKJTZJAR-NRFANRHFSA-N 2 1 358.530 1.735 20 10 FDCDMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC12COC2 ZINC000824489643 946472195 /nfs/dbraw/zinc/47/21/95/946472195.db2.gz NXWDWQLGGOQOKU-IBGZPJMESA-N 2 1 373.497 1.450 20 10 FDCDMP CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825280222 947104335 /nfs/dbraw/zinc/10/43/35/947104335.db2.gz YZOQVGLHBUDZLH-GOSISDBHSA-N 2 1 359.518 1.674 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000874242666 989980179 /nfs/dbraw/zinc/98/01/79/989980179.db2.gz YZDFQXGDEFPQQY-KRWDZBQOSA-N 2 1 360.502 1.275 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000874242666 989980181 /nfs/dbraw/zinc/98/01/81/989980181.db2.gz YZDFQXGDEFPQQY-KRWDZBQOSA-N 2 1 360.502 1.275 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC3(C1)CC[NH+](C)CC3)cc2=O ZINC000878865752 994300237 /nfs/dbraw/zinc/30/02/37/994300237.db2.gz COCKEGOEDBVIRP-UHFFFAOYSA-N 2 1 373.457 1.529 20 10 FDCDMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889663658 998513884 /nfs/dbraw/zinc/51/38/84/998513884.db2.gz TWBTVUZNVWDXOQ-GOSISDBHSA-N 2 1 359.518 1.674 20 10 FDCDMP COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000779190377 1002531326 /nfs/dbraw/zinc/53/13/26/1002531326.db2.gz HLJJDZHXVMHRQF-UHFFFAOYSA-N 2 1 374.529 1.508 20 10 FDCDMP C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000891254270 774150494 /nfs/dbraw/zinc/15/04/94/774150494.db2.gz XZVWZHIWDJXBSV-LPHOPBHVSA-N 2 1 361.534 1.107 20 10 FDCDMP C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789766323 933169819 /nfs/dbraw/zinc/16/98/19/933169819.db2.gz YWMGRNCLZCQABI-UHFFFAOYSA-N 2 1 360.546 1.981 20 10 FDCDMP CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@H]2C1 ZINC000816639546 942282425 /nfs/dbraw/zinc/28/24/25/942282425.db2.gz WFJNPNCLZFYOGP-LEWJYISDSA-N 2 1 358.530 1.733 20 10 FDCDMP C[N@@H+](C[C@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000819121864 943448478 /nfs/dbraw/zinc/44/84/78/943448478.db2.gz PDQUIMMRINJQEX-QGZVFWFLSA-N 2 1 351.466 1.332 20 10 FDCDMP CN(C[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000819121864 943448481 /nfs/dbraw/zinc/44/84/81/943448481.db2.gz PDQUIMMRINJQEX-QGZVFWFLSA-N 2 1 351.466 1.332 20 10 FDCDMP C[N@@H+](C[C@@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000819121862 943448614 /nfs/dbraw/zinc/44/86/14/943448614.db2.gz PDQUIMMRINJQEX-KRWDZBQOSA-N 2 1 351.466 1.332 20 10 FDCDMP CN(C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000819121862 943448617 /nfs/dbraw/zinc/44/86/17/943448617.db2.gz PDQUIMMRINJQEX-KRWDZBQOSA-N 2 1 351.466 1.332 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CC2)cc1 ZINC000844222962 947853609 /nfs/dbraw/zinc/85/36/09/947853609.db2.gz ONBWRJAQQIREDF-FFZOFVMBSA-N 2 1 372.513 1.403 20 10 FDCDMP Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000775722885 971736399 /nfs/dbraw/zinc/73/63/99/971736399.db2.gz FQITUAMAUCRLGV-UHFFFAOYSA-N 2 1 353.470 1.090 20 10 FDCDMP O[C@H](C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C[NH+]1CCCC1 ZINC000863553732 973011255 /nfs/dbraw/zinc/01/12/55/973011255.db2.gz IZTCXQBYHFIJPM-JOCHJYFZSA-N 3 1 372.557 1.765 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)c3ncoc3C[NH3+])CC2)cc1 ZINC000884232951 983007792 /nfs/dbraw/zinc/00/77/92/983007792.db2.gz DRQNJSAMCSSTRH-UHFFFAOYSA-N 2 1 373.457 1.084 20 10 FDCDMP C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)[N@@H+]1C ZINC000889662427 998512795 /nfs/dbraw/zinc/51/27/95/998512795.db2.gz DBFAYEIIEBOJNE-CALCHBBNSA-N 2 1 359.518 1.672 20 10 FDCDMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268888978 674103069 /nfs/dbraw/zinc/10/30/69/674103069.db2.gz ZLSRRMAZWBDYRU-NVXWUHKLSA-N 2 1 351.466 1.770 20 10 FDCDMP CN1CCN(c2ccc(C[NH+]3CCC4(CO[C@H](C[NH3+])C4)CC3)cc2)CC1 ZINC000904391461 851174571 /nfs/dbraw/zinc/17/45/71/851174571.db2.gz GNBZIJVEGGHEFL-FQEVSTJZSA-N 2 1 358.530 1.768 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000814176771 941568208 /nfs/dbraw/zinc/56/82/08/941568208.db2.gz UEKCURWCZFXPEA-KRWDZBQOSA-N 2 1 351.516 1.305 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000814176771 941568211 /nfs/dbraw/zinc/56/82/11/941568211.db2.gz UEKCURWCZFXPEA-KRWDZBQOSA-N 2 1 351.516 1.305 20 10 FDCDMP COc1cc(O)c(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(Br)c1 ZINC001205726267 971234008 /nfs/dbraw/zinc/23/40/08/971234008.db2.gz SDPQRDOPWSMNFH-HNNXBMFYSA-N 2 1 359.264 1.839 20 10 FDCDMP COc1cc(O)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(Br)c1 ZINC001205726267 971234015 /nfs/dbraw/zinc/23/40/15/971234015.db2.gz SDPQRDOPWSMNFH-HNNXBMFYSA-N 2 1 359.264 1.839 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)cc1 ZINC000844226854 947862907 /nfs/dbraw/zinc/86/29/07/947862907.db2.gz QWJNUIKSUYLGOV-IAGOWNOFSA-N 2 1 360.502 1.261 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)cc1 ZINC000844226854 947862909 /nfs/dbraw/zinc/86/29/09/947862909.db2.gz QWJNUIKSUYLGOV-IAGOWNOFSA-N 2 1 360.502 1.261 20 10 FDCDMP C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001178156956 964119028 /nfs/dbraw/zinc/11/90/28/964119028.db2.gz NSBKXLJWNSFGQS-NVXWUHKLSA-N 2 1 351.466 1.861 20 10 FDCDMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883331459 982073669 /nfs/dbraw/zinc/07/36/69/982073669.db2.gz YMYOJDQMYNSBTA-LJQANCHMSA-N 2 1 373.545 1.970 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000299582053 988606259 /nfs/dbraw/zinc/60/62/59/988606259.db2.gz VGUZIZUALUVEHG-IBGZPJMESA-N 2 1 360.502 1.418 20 10 FDCDMP COc1ccc(N2CCC([N@H+](C)CCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000366988657 988880654 /nfs/dbraw/zinc/88/06/54/988880654.db2.gz MIRUIEQICJBSGK-UHFFFAOYSA-N 2 1 374.529 1.760 20 10 FDCDMP COc1ccc(N2CCC([N@@H+](C)CCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000366988657 988880670 /nfs/dbraw/zinc/88/06/70/988880670.db2.gz MIRUIEQICJBSGK-UHFFFAOYSA-N 2 1 374.529 1.760 20 10 FDCDMP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)cc2)C1 ZINC000925486595 995626095 /nfs/dbraw/zinc/62/60/95/995626095.db2.gz RUGIIHJNDQPKTL-RBLKCTMESA-N 2 1 354.498 1.474 20 10 FDCDMP CC[NH+]1CCN(CCC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278302407 675119289 /nfs/dbraw/zinc/11/92/89/675119289.db2.gz CYVBZFRJZGBSEH-UHFFFAOYSA-N 2 1 352.435 1.426 20 10 FDCDMP COc1ccc(N2CCC([NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000128058199 843127244 /nfs/dbraw/zinc/12/72/44/843127244.db2.gz FJQITBYTFAWLMG-QGZVFWFLSA-N 2 1 374.529 1.841 20 10 FDCDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cc1C ZINC001082459159 907881953 /nfs/dbraw/zinc/88/19/53/907881953.db2.gz PUWWQXYWVIFMOO-SUMDDJOVSA-N 2 1 361.486 1.271 20 10 FDCDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cc1C ZINC001082459159 907881968 /nfs/dbraw/zinc/88/19/68/907881968.db2.gz PUWWQXYWVIFMOO-SUMDDJOVSA-N 2 1 361.486 1.271 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](n4cc(CO)nn4)C3)cc2)CC1 ZINC000816641781 942284739 /nfs/dbraw/zinc/28/47/39/942284739.db2.gz GIWXZSKFPGQGFF-HXUWFJFHSA-N 2 1 370.501 1.359 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])CC2)cc1 ZINC000846225894 950737535 /nfs/dbraw/zinc/73/75/35/950737535.db2.gz HAVNQIUIACKFRH-XLIONFOSSA-N 2 1 374.529 1.793 20 10 FDCDMP Cc1nsc(N2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)n1 ZINC000775719380 971703661 /nfs/dbraw/zinc/70/36/61/971703661.db2.gz SZOMJMZLDDGGMW-UHFFFAOYSA-N 2 1 372.542 1.921 20 10 FDCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000848546248 976898230 /nfs/dbraw/zinc/89/82/30/976898230.db2.gz WIRWUJLRDZATRQ-BMIGLBTASA-N 2 1 359.264 1.881 20 10 FDCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000848546248 976898235 /nfs/dbraw/zinc/89/82/35/976898235.db2.gz WIRWUJLRDZATRQ-BMIGLBTASA-N 2 1 359.264 1.881 20 10 FDCDMP CC[N@H+]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889666808 998517712 /nfs/dbraw/zinc/51/77/12/998517712.db2.gz RMVAVRBPYASIGH-UHFFFAOYSA-N 2 1 359.518 1.676 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC3CC[NH+](C)CC3)CC2)cc1 ZINC000291406094 537582689 /nfs/dbraw/zinc/58/26/89/537582689.db2.gz BTTFFEAPGGVAAJ-UHFFFAOYSA-N 2 1 374.529 1.665 20 10 FDCDMP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[N@H+]3C)cc2F)CC1 ZINC000917233940 883253460 /nfs/dbraw/zinc/25/34/60/883253460.db2.gz ZGAMRDLDCUERTH-INIZCTEOSA-N 2 1 363.481 1.471 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000816619294 942279634 /nfs/dbraw/zinc/27/96/34/942279634.db2.gz ABUHLHMFTRANQD-GOSISDBHSA-N 2 1 365.543 1.695 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000816619294 942279641 /nfs/dbraw/zinc/27/96/41/942279641.db2.gz ABUHLHMFTRANQD-GOSISDBHSA-N 2 1 365.543 1.695 20 10 FDCDMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC12COC2 ZINC000824489645 946472519 /nfs/dbraw/zinc/47/25/19/946472519.db2.gz NXWDWQLGGOQOKU-LJQANCHMSA-N 2 1 373.497 1.450 20 10 FDCDMP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000825278612 947102495 /nfs/dbraw/zinc/10/24/95/947102495.db2.gz GCNYSODDUFFINB-UHFFFAOYSA-N 2 1 366.462 1.815 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CC2)cc1 ZINC000844222961 947853379 /nfs/dbraw/zinc/85/33/79/947853379.db2.gz ONBWRJAQQIREDF-DBVUQKKJSA-N 2 1 372.513 1.403 20 10 FDCDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248551 967943941 /nfs/dbraw/zinc/94/39/41/967943941.db2.gz HLNBTZVWPQNBJL-OAHLLOKOSA-N 2 1 371.485 1.913 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883133932 981970810 /nfs/dbraw/zinc/97/08/10/981970810.db2.gz KZLLKQPYFWKTCK-UYAOXDASSA-N 2 1 371.529 1.864 20 10 FDCDMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000878426796 993951360 /nfs/dbraw/zinc/95/13/60/993951360.db2.gz PHUUTJKPHYZYOT-LJQANCHMSA-N 2 1 373.545 1.970 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878745758 994186984 /nfs/dbraw/zinc/18/69/84/994186984.db2.gz HPJCRPMLXNEGHA-UHFFFAOYSA-N 2 1 367.497 1.976 20 10 FDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878745758 994186994 /nfs/dbraw/zinc/18/69/94/994186994.db2.gz HPJCRPMLXNEGHA-UHFFFAOYSA-N 2 1 367.497 1.976 20 10 FDCDMP CCOc1ccc(O)c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000289143647 1000077311 /nfs/dbraw/zinc/07/73/11/1000077311.db2.gz ALIRWOSDPPQMTO-UHFFFAOYSA-N 2 1 361.486 1.777 20 10 FDCDMP COc1c(O)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000282378151 675628119 /nfs/dbraw/zinc/62/81/19/675628119.db2.gz QOJJOVRFISOIRS-UHFFFAOYSA-N 2 1 352.435 1.425 20 10 FDCDMP COc1c(O)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000282378151 675628122 /nfs/dbraw/zinc/62/81/22/675628122.db2.gz QOJJOVRFISOIRS-UHFFFAOYSA-N 2 1 352.435 1.425 20 10 FDCDMP C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896443763 824416876 /nfs/dbraw/zinc/41/68/76/824416876.db2.gz BYHWVSHDGVNOCY-KRWDZBQOSA-N 2 1 359.518 1.722 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4C)cc2)CC1 ZINC000896444915 824417985 /nfs/dbraw/zinc/41/79/85/824417985.db2.gz REAXFTRNJLLMIW-PMACEKPBSA-N 2 1 371.529 1.817 20 10 FDCDMP COc1ccc(N2CC[NH+](CCCNC(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000063465111 865976554 /nfs/dbraw/zinc/97/65/54/865976554.db2.gz MYELJJSWVQOADM-UHFFFAOYSA-N 2 1 362.518 1.664 20 10 FDCDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809743295 940894359 /nfs/dbraw/zinc/89/43/59/940894359.db2.gz VISMLYGSKMOQQA-UHFFFAOYSA-N 3 1 359.562 1.508 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)CC2)cc1 ZINC000844226853 947862857 /nfs/dbraw/zinc/86/28/57/947862857.db2.gz QWJNUIKSUYLGOV-DLBZAZTESA-N 2 1 360.502 1.261 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)CC2)cc1 ZINC000844226853 947862864 /nfs/dbraw/zinc/86/28/64/947862864.db2.gz QWJNUIKSUYLGOV-DLBZAZTESA-N 2 1 360.502 1.261 20 10 FDCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001144510465 949792694 /nfs/dbraw/zinc/79/26/94/949792694.db2.gz ZFPJXTMFCOASGZ-YWZLYKJASA-N 2 1 362.470 1.984 20 10 FDCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144510465 949792697 /nfs/dbraw/zinc/79/26/97/949792697.db2.gz ZFPJXTMFCOASGZ-YWZLYKJASA-N 2 1 362.470 1.984 20 10 FDCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144510465 949792698 /nfs/dbraw/zinc/79/26/98/949792698.db2.gz ZFPJXTMFCOASGZ-YWZLYKJASA-N 2 1 362.470 1.984 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCN3CCC(CO)CC3)cc2F)CC1 ZINC001177811467 963979166 /nfs/dbraw/zinc/97/91/66/963979166.db2.gz ZREAFCBTXIWZSN-UHFFFAOYSA-N 2 1 364.509 1.371 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)CC[N@H+]2CC[C@@H](F)C2)[NH+](C)C)cc1 ZINC001180178555 965128109 /nfs/dbraw/zinc/12/81/09/965128109.db2.gz CQAHYEVFDZVMBD-AEFFLSMTSA-N 2 1 350.482 1.905 20 10 FDCDMP COc1cc(Br)cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1O ZINC000863649315 973091816 /nfs/dbraw/zinc/09/18/16/973091816.db2.gz YJUAIVOLAAHXJW-UHFFFAOYSA-N 2 1 369.219 1.407 20 10 FDCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254404 987545470 /nfs/dbraw/zinc/54/54/70/987545470.db2.gz CHMVFDXXFMTIDN-QRVBRYPASA-N 2 1 358.486 1.900 20 10 FDCDMP COc1cc(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OC ZINC000371357863 990379409 /nfs/dbraw/zinc/37/94/09/990379409.db2.gz RULXNBOKGSMFAF-WBVHZDCISA-N 2 1 363.502 1.867 20 10 FDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000876506167 992672529 /nfs/dbraw/zinc/67/25/29/992672529.db2.gz GJRZBBGKHHXXBS-WOJBJXKFSA-N 2 1 369.513 1.328 20 10 FDCDMP NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)cc2)CC1 ZINC000925778945 995765169 /nfs/dbraw/zinc/76/51/69/995765169.db2.gz YKYJVIPMBSTNSJ-FLFBIERCSA-N 2 1 354.498 1.474 20 10 FDCDMP CN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000889669230 998519336 /nfs/dbraw/zinc/51/93/36/998519336.db2.gz CLXNKOOXVZACDU-FQEVSTJZSA-N 2 1 371.529 1.817 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)N(C)CC[NH+](C)C)CC2)cc1 ZINC000267053708 999293727 /nfs/dbraw/zinc/29/37/27/999293727.db2.gz OBPTWODNGGBAPJ-UHFFFAOYSA-N 2 1 363.506 1.020 20 10 FDCDMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000290094037 537670021 /nfs/dbraw/zinc/67/00/21/537670021.db2.gz JNKHAAALQPIIRM-RBUKOAKNSA-N 2 1 360.502 1.322 20 10 FDCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841102103 828678116 /nfs/dbraw/zinc/67/81/16/828678116.db2.gz CBIVXPMGMUCKEX-KRWDZBQOSA-N 2 1 361.490 1.082 20 10 FDCDMP CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000775724194 971739745 /nfs/dbraw/zinc/73/97/45/971739745.db2.gz MKAXALJNGBLBCL-UHFFFAOYSA-N 2 1 367.497 1.573 20 10 FDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)S(C)(=O)=O ZINC000775725611 971757908 /nfs/dbraw/zinc/75/79/08/971757908.db2.gz JLRUUEWAZCDCAM-UHFFFAOYSA-N 2 1 353.532 1.693 20 10 FDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)S(C)(=O)=O ZINC000775725611 971757915 /nfs/dbraw/zinc/75/79/15/971757915.db2.gz JLRUUEWAZCDCAM-UHFFFAOYSA-N 2 1 353.532 1.693 20 10 FDCDMP CN1CCN(c2ccc(C[NH2+][C@@H]3CCN(C4CC[NH+](C)CC4)C3)cc2)CC1 ZINC001177791471 963971911 /nfs/dbraw/zinc/97/19/11/963971911.db2.gz ZBGGHVJKPDYFSW-HXUWFJFHSA-N 2 1 371.573 1.697 20 10 FDCDMP C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[NH+]1CCSCC1 ZINC000881852200 980215094 /nfs/dbraw/zinc/21/50/94/980215094.db2.gz IMXIYQZQKZUEAL-INIZCTEOSA-N 2 1 362.543 1.492 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000883358623 982094329 /nfs/dbraw/zinc/09/43/29/982094329.db2.gz OOLUQFSJENGFNE-SFHVURJKSA-N 2 1 359.518 1.579 20 10 FDCDMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000889669217 998518833 /nfs/dbraw/zinc/51/88/33/998518833.db2.gz BZIAIZOCTRIXQD-QUCCMNQESA-N 2 1 371.529 1.817 20 10 FDCDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000178666799 525461399 /nfs/dbraw/zinc/46/13/99/525461399.db2.gz BMIZOPQXMMFNDY-QGZVFWFLSA-N 2 1 360.502 1.338 20 10 FDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705039 538091121 /nfs/dbraw/zinc/09/11/21/538091121.db2.gz DHZVAZTXGZNNJS-KNQAVFIVSA-N 2 1 372.557 1.981 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](NC(=O)NC4CC4)C3)cc2)CC1 ZINC000761227881 864460613 /nfs/dbraw/zinc/46/06/13/864460613.db2.gz CWQOTOIHVFRSHL-GOSISDBHSA-N 2 1 357.502 1.474 20 10 FDCDMP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809700652 940879817 /nfs/dbraw/zinc/87/98/17/940879817.db2.gz LGKDDRNEGYCBHD-WIYYLYMNSA-N 2 1 358.530 1.733 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3CS(C)(=O)=O)cc2)CC1 ZINC000824914147 946855370 /nfs/dbraw/zinc/85/53/70/946855370.db2.gz NBJGEQWSFIOMNZ-LJQANCHMSA-N 2 1 365.543 1.838 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CS(C)(=O)=O)cc2)CC1 ZINC000824914147 946855390 /nfs/dbraw/zinc/85/53/90/946855390.db2.gz NBJGEQWSFIOMNZ-LJQANCHMSA-N 2 1 365.543 1.838 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)cc1 ZINC000844226856 947862334 /nfs/dbraw/zinc/86/23/34/947862334.db2.gz QWJNUIKSUYLGOV-SJORKVTESA-N 2 1 360.502 1.261 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)cc1 ZINC000844226856 947862341 /nfs/dbraw/zinc/86/23/41/947862341.db2.gz QWJNUIKSUYLGOV-SJORKVTESA-N 2 1 360.502 1.261 20 10 FDCDMP CCOC(=O)c1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC000865763377 974468997 /nfs/dbraw/zinc/46/89/97/974468997.db2.gz HCKNZJZWPLQQFV-UHFFFAOYSA-N 2 1 358.442 1.893 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000883149185 981981144 /nfs/dbraw/zinc/98/11/44/981981144.db2.gz UADWGVDNTNJCQB-WOJBJXKFSA-N 2 1 371.529 1.864 20 10 FDCDMP COc1ccc(N2CCN(C(=O)CN(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000172843256 524281874 /nfs/dbraw/zinc/28/18/74/524281874.db2.gz NKTSHIXYDLXANL-IEBWSBKVSA-N 2 1 374.529 1.758 20 10 FDCDMP COc1c(O)c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278295463 537295019 /nfs/dbraw/zinc/29/50/19/537295019.db2.gz CFMXHVFWUZAPIE-UHFFFAOYSA-N 2 1 353.419 1.634 20 10 FDCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[N@H+]1C ZINC000765978155 874033380 /nfs/dbraw/zinc/03/33/80/874033380.db2.gz LXHFSJPBLDTFIP-DOTOQJQBSA-N 2 1 351.516 1.494 20 10 FDCDMP COc1ccc2ccc(O)c(C[N@@H+]3CCN(CC[NH+](C)C)C(=O)C3)c2c1 ZINC000844715162 948322904 /nfs/dbraw/zinc/32/29/04/948322904.db2.gz UMPVVNAHXVUIHN-UHFFFAOYSA-N 2 1 357.454 1.760 20 10 FDCDMP COc1ccc2ccc(O)c(C[N@H+]3CCN(CC[NH+](C)C)C(=O)C3)c2c1 ZINC000844715162 948322919 /nfs/dbraw/zinc/32/29/19/948322919.db2.gz UMPVVNAHXVUIHN-UHFFFAOYSA-N 2 1 357.454 1.760 20 10 FDCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)CS(C)(=O)=O ZINC000775696197 971546773 /nfs/dbraw/zinc/54/67/73/971546773.db2.gz INGVXCADPRSGDD-MRXNPFEDSA-N 2 1 353.532 1.693 20 10 FDCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)CS(C)(=O)=O ZINC000775696197 971546782 /nfs/dbraw/zinc/54/67/82/971546782.db2.gz INGVXCADPRSGDD-MRXNPFEDSA-N 2 1 353.532 1.693 20 10 FDCDMP COc1cccc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1O ZINC000853248427 967943688 /nfs/dbraw/zinc/94/36/88/967943688.db2.gz GDCBQESMHVSYJC-OAHLLOKOSA-N 2 1 371.485 1.913 20 10 FDCDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(O)c(O)c3)CC2)CC1 ZINC000847591642 975877847 /nfs/dbraw/zinc/87/78/47/975877847.db2.gz YEQUEGMZGBOMEM-UHFFFAOYSA-N 2 1 361.486 1.910 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@]34CCC[C@H]3[NH2+]CC4)CC2)cc1 ZINC000876781497 992907803 /nfs/dbraw/zinc/90/78/03/992907803.db2.gz HFDNBCJTURJBHU-CTNGQTDRSA-N 2 1 372.513 1.466 20 10 FDCDMP CCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000889661368 998511750 /nfs/dbraw/zinc/51/17/50/998511750.db2.gz YMPRTUPBOYFUNJ-LJQANCHMSA-N 2 1 359.518 1.674 20 10 FDCDMP COc1c(O)c(C[NH2+]CCCN2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000894378507 817910261 /nfs/dbraw/zinc/91/02/61/817910261.db2.gz UFHKFMNWNUTSQF-UHFFFAOYSA-N 2 1 352.435 1.426 20 10 FDCDMP COc1c(O)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000894378507 817910266 /nfs/dbraw/zinc/91/02/66/817910266.db2.gz UFHKFMNWNUTSQF-UHFFFAOYSA-N 2 1 352.435 1.426 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CC2)cc1 ZINC000844222964 947853802 /nfs/dbraw/zinc/85/38/02/947853802.db2.gz ONBWRJAQQIREDF-VDGAXYAQSA-N 2 1 372.513 1.403 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])CC2)cc1 ZINC000846225896 950738263 /nfs/dbraw/zinc/73/82/63/950738263.db2.gz HAVNQIUIACKFRH-YLJYHZDGSA-N 2 1 374.529 1.793 20 10 FDCDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000876715326 992822082 /nfs/dbraw/zinc/82/20/82/992822082.db2.gz LYVWYWCPADHWFB-OAQYLSRUSA-N 2 1 372.557 1.860 20 10 FDCDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000876715326 992822097 /nfs/dbraw/zinc/82/20/97/992822097.db2.gz LYVWYWCPADHWFB-OAQYLSRUSA-N 2 1 372.557 1.860 20 10 FDCDMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000054496710 523645544 /nfs/dbraw/zinc/64/55/44/523645544.db2.gz VXPRNPMTRWERTH-UHFFFAOYSA-N 2 1 361.442 1.107 20 10 FDCDMP COc1ccc(N2CCN(C(=O)CN(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000172843264 524282272 /nfs/dbraw/zinc/28/22/72/524282272.db2.gz NKTSHIXYDLXANL-PKOBYXMFSA-N 2 1 374.529 1.758 20 10 FDCDMP CC[N@H+](C)CCNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000263668367 537058790 /nfs/dbraw/zinc/05/87/90/537058790.db2.gz BKTWNKAOCBKEKT-UHFFFAOYSA-N 2 1 363.506 1.068 20 10 FDCDMP CC[N@@H+](C)CCNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000263668367 537058793 /nfs/dbraw/zinc/05/87/93/537058793.db2.gz BKTWNKAOCBKEKT-UHFFFAOYSA-N 2 1 363.506 1.068 20 10 FDCDMP COc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(O)c1OC ZINC000892751273 791052224 /nfs/dbraw/zinc/05/22/24/791052224.db2.gz NFRJYXAVQDYRPR-UHFFFAOYSA-N 2 1 372.469 1.846 20 10 FDCDMP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000840830361 827100790 /nfs/dbraw/zinc/10/07/90/827100790.db2.gz DWQCAILUJHOJRU-OAHLLOKOSA-N 2 1 351.466 1.979 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000923501312 889520049 /nfs/dbraw/zinc/52/00/49/889520049.db2.gz QFYKOTGPLFNAEX-SJORKVTESA-N 2 1 360.502 1.261 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CCCC[NH+](C)C)CC2)cc1 ZINC000732923860 920311899 /nfs/dbraw/zinc/31/18/99/920311899.db2.gz KMGYXMUUSLJWAH-UHFFFAOYSA-N 2 1 362.518 1.665 20 10 FDCDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809742908 940894251 /nfs/dbraw/zinc/89/42/51/940894251.db2.gz MIELMOPQXNXNFZ-UHFFFAOYSA-N 2 1 364.509 1.732 20 10 FDCDMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892040 943066806 /nfs/dbraw/zinc/06/68/06/943066806.db2.gz JCODFDHMMFJTMK-ZWKOTPCHSA-N 2 1 351.516 1.671 20 10 FDCDMP CCN1CCN(c2ccc(C[NH2+][C@@H](CCC[NH3+])COC)cc2F)CC1 ZINC000817901268 943071270 /nfs/dbraw/zinc/07/12/70/943071270.db2.gz AITWJQHQNXOZDJ-KRWDZBQOSA-N 2 1 352.498 1.811 20 10 FDCDMP Oc1cc(O)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(O)c1 ZINC001144509830 949788658 /nfs/dbraw/zinc/78/86/58/949788658.db2.gz LLOCPBDIQHRJJB-UHFFFAOYSA-N 2 1 358.442 1.654 20 10 FDCDMP C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000883456662 982163020 /nfs/dbraw/zinc/16/30/20/982163020.db2.gz FGQXUVLKZVFUSI-FUHWJXTLSA-N 2 1 359.518 1.720 20 10 FDCDMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000877641080 993401261 /nfs/dbraw/zinc/40/12/61/993401261.db2.gz VZTXRUQLJCBVDD-OAQYLSRUSA-N 2 1 359.514 1.679 20 10 FDCDMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000877641080 993401270 /nfs/dbraw/zinc/40/12/70/993401270.db2.gz VZTXRUQLJCBVDD-OAQYLSRUSA-N 2 1 359.514 1.679 20 10 FDCDMP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)cc2)C1 ZINC000925486596 995625933 /nfs/dbraw/zinc/62/59/33/995625933.db2.gz RUGIIHJNDQPKTL-ZHAUUAPESA-N 2 1 354.498 1.474 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4C)cc2)CC1 ZINC000896445080 824418174 /nfs/dbraw/zinc/41/81/74/824418174.db2.gz REAXFTRNJLLMIW-VQTJNVASSA-N 2 1 371.529 1.817 20 10 FDCDMP Cc1nc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n[nH]1 ZINC000922407012 878108987 /nfs/dbraw/zinc/10/89/87/878108987.db2.gz JTEVDHWZQAFWDM-HKUYNNGSSA-N 2 1 370.501 1.732 20 10 FDCDMP C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000921748489 897557730 /nfs/dbraw/zinc/55/77/30/897557730.db2.gz IVUUVMDMCNEGPA-HXUWFJFHSA-N 2 1 371.529 1.722 20 10 FDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000844162911 947842532 /nfs/dbraw/zinc/84/25/32/947842532.db2.gz ORPQBTNZFKBFFS-WOJBJXKFSA-N 2 1 367.497 1.928 20 10 FDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1 ZINC000844162911 947842546 /nfs/dbraw/zinc/84/25/46/947842546.db2.gz ORPQBTNZFKBFFS-WOJBJXKFSA-N 2 1 367.497 1.928 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000844218923 947846314 /nfs/dbraw/zinc/84/63/14/947846314.db2.gz FKFAPLJWGXMSFD-DLBZAZTESA-N 2 1 360.502 1.403 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000844218923 947846324 /nfs/dbraw/zinc/84/63/24/947846324.db2.gz FKFAPLJWGXMSFD-DLBZAZTESA-N 2 1 360.502 1.403 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCNC(=O)c3ccco3)cc2F)CC1 ZINC001177175277 963708830 /nfs/dbraw/zinc/70/88/30/963708830.db2.gz FUNOKUMGZOKFQH-UHFFFAOYSA-N 2 1 360.433 1.690 20 10 FDCDMP COc1cccc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1O ZINC000853248425 967944156 /nfs/dbraw/zinc/94/41/56/967944156.db2.gz GDCBQESMHVSYJC-HNNXBMFYSA-N 2 1 371.485 1.913 20 10 FDCDMP CN(C)c1cc(F)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1F ZINC000862236362 984272706 /nfs/dbraw/zinc/27/27/06/984272706.db2.gz SUHKUUSUMFUJIU-UHFFFAOYSA-N 2 1 368.472 1.921 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC[NH2+]CC3CC3)CC2)cc1 ZINC000870886309 986462560 /nfs/dbraw/zinc/46/25/60/986462560.db2.gz CVXQHTMEUBKZBI-UHFFFAOYSA-N 2 1 360.502 1.323 20 10 FDCDMP CN1CCc2cc(C[NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)ccc21 ZINC000364443329 989570988 /nfs/dbraw/zinc/57/09/88/989570988.db2.gz KRDREEMBCPVTEA-UHFFFAOYSA-N 2 1 352.486 1.511 20 10 FDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000876506166 992672185 /nfs/dbraw/zinc/67/21/85/992672185.db2.gz GJRZBBGKHHXXBS-VQTJNVASSA-N 2 1 369.513 1.328 20 10 FDCDMP CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)[NH+](C)C)cc1 ZINC000899095360 845756643 /nfs/dbraw/zinc/75/66/43/845756643.db2.gz IFXQIOGNAKMAPW-YTQUADARSA-N 2 1 359.518 1.701 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000923501310 889519477 /nfs/dbraw/zinc/51/94/77/889519477.db2.gz QFYKOTGPLFNAEX-IAGOWNOFSA-N 2 1 360.502 1.261 20 10 FDCDMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892038 943067045 /nfs/dbraw/zinc/06/70/45/943067045.db2.gz JCODFDHMMFJTMK-QZTJIDSGSA-N 2 1 351.516 1.671 20 10 FDCDMP C[NH+]1CCN(c2ccc(CNc3cc[nH+]c(N4CCOCC4)n3)cc2)CC1 ZINC000882880424 981770572 /nfs/dbraw/zinc/77/05/72/981770572.db2.gz RGBRHMWSXFHJRK-UHFFFAOYSA-N 2 1 368.485 1.677 20 10 FDCDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872255348 987547459 /nfs/dbraw/zinc/54/74/59/987547459.db2.gz CIEYCXDIYWLEDO-XCCUNJHGSA-N 2 1 356.470 1.633 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4CS(=O)(=O)C[C@H]4C3)cc2)CC1 ZINC000877790748 993515787 /nfs/dbraw/zinc/51/57/87/993515787.db2.gz GRHYXJKMVZFBIW-ZWKOTPCHSA-N 2 1 363.527 1.305 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CS(=O)(=O)C[C@H]4C3)cc2)CC1 ZINC000877790748 993515793 /nfs/dbraw/zinc/51/57/93/993515793.db2.gz GRHYXJKMVZFBIW-ZWKOTPCHSA-N 2 1 363.527 1.305 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000270643693 999591718 /nfs/dbraw/zinc/59/17/18/999591718.db2.gz HWDIWMXGLQFTNG-LJQANCHMSA-N 2 1 372.513 1.323 20 10 FDCDMP CN(C)c1ccc([C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)[NH+](C)C)cc1 ZINC000899104175 845777436 /nfs/dbraw/zinc/77/74/36/845777436.db2.gz QHZVWPLADLCGET-LJQANCHMSA-N 2 1 359.518 1.916 20 10 FDCDMP COc1ccc(Br)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205240848 909568177 /nfs/dbraw/zinc/56/81/77/909568177.db2.gz OQCLZYNKEWRQAC-OAHLLOKOSA-N 2 1 359.264 1.839 20 10 FDCDMP CCOc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(O)c1 ZINC000809732925 940888197 /nfs/dbraw/zinc/88/81/97/940888197.db2.gz RVTHECXDFOSEFK-UHFFFAOYSA-N 2 1 361.486 1.777 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000844224126 947856152 /nfs/dbraw/zinc/85/61/52/947856152.db2.gz GEPKJUMPNLOOPZ-BZSNNMDCSA-N 2 1 374.529 1.649 20 10 FDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000844224126 947856155 /nfs/dbraw/zinc/85/61/55/947856155.db2.gz GEPKJUMPNLOOPZ-BZSNNMDCSA-N 2 1 374.529 1.649 20 10 FDCDMP COc1ccc(O)c(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000853736499 968281692 /nfs/dbraw/zinc/28/16/92/968281692.db2.gz DBVGRJHAUPDJBR-AWEZNQCLSA-N 2 1 352.479 1.472 20 10 FDCDMP COc1ccc(O)c(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000853736499 968281701 /nfs/dbraw/zinc/28/17/01/968281701.db2.gz DBVGRJHAUPDJBR-AWEZNQCLSA-N 2 1 352.479 1.472 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C[C@H]4CCOC4)nn3)cc2)CC1 ZINC000883282879 982042771 /nfs/dbraw/zinc/04/27/71/982042771.db2.gz JDRSNKBLKHYXFT-GOSISDBHSA-N 2 1 370.501 1.356 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4(=O)=O)cc2)CC1 ZINC000862526277 984404226 /nfs/dbraw/zinc/40/42/26/984404226.db2.gz RHVQXKIDUJOLJO-MOPGFXCFSA-N 2 1 363.527 1.590 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4(=O)=O)cc2)CC1 ZINC000862526277 984404234 /nfs/dbraw/zinc/40/42/34/984404234.db2.gz RHVQXKIDUJOLJO-MOPGFXCFSA-N 2 1 363.527 1.590 20 10 FDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OC ZINC000371357861 990379217 /nfs/dbraw/zinc/37/92/17/990379217.db2.gz RULXNBOKGSMFAF-NVXWUHKLSA-N 2 1 363.502 1.867 20 10 FDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000270353594 999544831 /nfs/dbraw/zinc/54/48/31/999544831.db2.gz UKMPGHQLOLTLRP-KRWDZBQOSA-N 2 1 360.502 1.323 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)cc2=O ZINC000118843446 525560951 /nfs/dbraw/zinc/56/09/51/525560951.db2.gz IGKWAZYOBFPBDO-CYBMUJFWSA-N 2 1 361.446 1.385 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)cc2=O ZINC000118843446 525560958 /nfs/dbraw/zinc/56/09/58/525560958.db2.gz IGKWAZYOBFPBDO-CYBMUJFWSA-N 2 1 361.446 1.385 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)cc2=O ZINC000118843446 525560969 /nfs/dbraw/zinc/56/09/69/525560969.db2.gz IGKWAZYOBFPBDO-CYBMUJFWSA-N 2 1 361.446 1.385 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)cc2=O ZINC000118843446 525560972 /nfs/dbraw/zinc/56/09/72/525560972.db2.gz IGKWAZYOBFPBDO-CYBMUJFWSA-N 2 1 361.446 1.385 20 10 FDCDMP COc1ccc(Br)c(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205690634 970764258 /nfs/dbraw/zinc/76/42/58/970764258.db2.gz WLDUOJWYLZWGSQ-HNNXBMFYSA-N 2 1 359.264 1.839 20 10 FDCDMP COc1ccc(Br)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205690634 970764263 /nfs/dbraw/zinc/76/42/63/970764263.db2.gz WLDUOJWYLZWGSQ-HNNXBMFYSA-N 2 1 359.264 1.839 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(F)cc3)cc2)CC1 ZINC000905790730 852262218 /nfs/dbraw/zinc/26/22/18/852262218.db2.gz ZYSRNVIELIJFNX-LJQANCHMSA-N 2 1 356.445 1.894 20 10 FDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000775712806 971660360 /nfs/dbraw/zinc/66/03/60/971660360.db2.gz IUKIYDUSMADCAQ-KRWDZBQOSA-N 2 1 351.516 1.305 20 10 FDCDMP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000015571940 974216093 /nfs/dbraw/zinc/21/60/93/974216093.db2.gz WHTWLSNMUDIFLZ-UHFFFAOYSA-N 2 1 374.529 1.556 20 10 FDCDMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000015571940 974216102 /nfs/dbraw/zinc/21/61/02/974216102.db2.gz WHTWLSNMUDIFLZ-UHFFFAOYSA-N 2 1 374.529 1.556 20 10 FDCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C[C@H]4CCCO4)nn3)cc2)CC1 ZINC000883282891 982044470 /nfs/dbraw/zinc/04/44/70/982044470.db2.gz JTHHCKDDRABCBF-HXUWFJFHSA-N 2 1 370.501 1.499 20 10 FDCDMP COc1ccc(N2CCN(CCC[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cc1 ZINC000925517153 995637252 /nfs/dbraw/zinc/63/72/52/995637252.db2.gz FTODYMSJYMKHHJ-BVKOHWRASA-N 2 1 370.541 1.793 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@H]1CCC[NH+](C)C1)cc2=O ZINC000118843448 525561031 /nfs/dbraw/zinc/56/10/31/525561031.db2.gz IGKWAZYOBFPBDO-ZDUSSCGKSA-N 2 1 361.446 1.385 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)cc2=O ZINC000118843448 525561038 /nfs/dbraw/zinc/56/10/38/525561038.db2.gz IGKWAZYOBFPBDO-ZDUSSCGKSA-N 2 1 361.446 1.385 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[NH+](C)C[C@H]1CCC[N@H+](C)C1)cc2=O ZINC000118843448 525561054 /nfs/dbraw/zinc/56/10/54/525561054.db2.gz IGKWAZYOBFPBDO-ZDUSSCGKSA-N 2 1 361.446 1.385 20 10 FDCDMP CCOC(=O)c1cnn2c1[nH]c(C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)cc2=O ZINC000118843448 525561063 /nfs/dbraw/zinc/56/10/63/525561063.db2.gz IGKWAZYOBFPBDO-ZDUSSCGKSA-N 2 1 361.446 1.385 20 10 FDCDMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000290094027 537669661 /nfs/dbraw/zinc/66/96/61/537669661.db2.gz JNKHAAALQPIIRM-MOPGFXCFSA-N 2 1 360.502 1.322 20 10 FDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705041 538091228 /nfs/dbraw/zinc/09/12/28/538091228.db2.gz DHZVAZTXGZNNJS-UGKGYDQZSA-N 2 1 372.557 1.981 20 10 FDCDMP